2-chloro-N-[[3-(cyclopropylmethyl)-1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(cyclopropylmethyl)-1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide

C40H50Cl2N8O6S2 — CID 91565953

IUPAC2-chloro-N-[[3-(cyclopropylmethyl)-1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(cyclopropylmethyl)-1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC2(CC3CC3)CN(S(=O)(=O)c3cn(C)cn3)C2)c(Cl)c1.Cc1ccc(C(=O)NCC2(CC3CC3)CN(S(=O)(=O)c3cnn(C)c3)C2)c(Cl)c1
InChIInChI=1S/2C20H25ClN4O3S/c1-14-3-6-17(18(21)7-14)19(26)22-11-20(8-15-4-5-15)12-25(13-20)29(27,28)16-9-23-24(2)10-16;1-14-3-6-16(17(21)7-14)19(26)22-10-20(8-15-4-5-15)11-25(12-20)29(27,28)18-9-24(2)13-23-18/h3,6-7,9-10,15H,4-5,8,11-13H2,1-2H3,(H,22,26);3,6-7,9,13,15H,4-5,8,10-12H2,1-2H3,(H,22,26)
InChIKeyKBANKHQCSAKGDO-UHFFFAOYSA-N
MW873.93 g/mol
LogP5.21
Rot. Bonds14

About 2-chloro-N-[[3-(cyclopropylmethyl)-1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(cyclopropylmethyl)-1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide

2-chloro-N-[[3-(cyclopropylmethyl)-1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(cyclopropylmethyl)-1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide (PubChem CID 91565953) has the molecular formula C40H50Cl2N8O6S2 and a molecular weight of 873.93 g/mol. Its IUPAC name is 2-chloro-N-[[3-(cyclopropylmethyl)-1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(cyclopropylmethyl)-1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[[3-(cyclopropylmethyl)-1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(cyclopropylmethyl)-1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide
PubChem CID91565953
Molecular FormulaC40H50Cl2N8O6S2
Molecular Weight873.93 g/mol
Exact Mass872.27
IUPAC Name2-chloro-N-[[3-(cyclopropylmethyl)-1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(cyclopropylmethyl)-1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC2(CC3CC3)CN(S(=O)(=O)c3cn(C)cn3)C2)c(Cl)c1.Cc1ccc(C(=O)NCC2(CC3CC3)CN(S(=O)(=O)c3cnn(C)c3)C2)c(Cl)c1
InChIInChI=1S/2C20H25ClN4O3S/c1-14-3-6-17(18(21)7-14)19(26)22-11-20(8-15-4-5-15)12-25(13-20)29(27,28)16-9-23-24(2)10-16;1-14-3-6-16(17(21)7-14)19(26)22-10-20(8-15-4-5-15)11-25(12-20)29(27,28)18-9-24(2)13-23-18/h3,6-7,9-10,15H,4-5,8,11-13H2,1-2H3,(H,22,26);3,6-7,9,13,15H,4-5,8,10-12H2,1-2H3,(H,22,26)
InChIKeyKBANKHQCSAKGDO-UHFFFAOYSA-N
XLogP5.21
TPSA168.60 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500873.93
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-chloro-N-[[3-(cyclopropylmethyl)-1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(cyclopropylmethyl)-1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide with MolForge

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Related Compounds

2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(3-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide
CID 91274236
2-chloro-N-[[4-(cyclopropylmethyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-6-fluorobenzamide;2-chloro-N-[[4-(cyclopropylmethyl)-1-(2H-triazol-4-ylsulfonyl)piperidin-4-yl]methyl]-4-methylbenzamide
CID 162073929

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[3-(cyclopropylmethyl)-1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(cyclopropylmethyl)-1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide?
The IUPAC name of 2-chloro-N-[[3-(cyclopropylmethyl)-1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(cyclopropylmethyl)-1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide (CID 91565953) is 2-chloro-N-[[3-(cyclopropylmethyl)-1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(cyclopropylmethyl)-1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide.
What is the SMILES notation for 2-chloro-N-[[3-(cyclopropylmethyl)-1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(cyclopropylmethyl)-1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide?
The canonical SMILES for 2-chloro-N-[[3-(cyclopropylmethyl)-1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(cyclopropylmethyl)-1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide is Cc1ccc(C(=O)NCC2(CC3CC3)CN(S(=O)(=O)c3cn(C)cn3)C2)c(Cl)c1.Cc1ccc(C(=O)NCC2(CC3CC3)CN(S(=O)(=O)c3cnn(C)c3)C2)c(Cl)c1.
What is the InChIKey of 2-chloro-N-[[3-(cyclopropylmethyl)-1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(cyclopropylmethyl)-1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide?
The InChIKey is KBANKHQCSAKGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H25ClN4O3S/c1-14-3-6-17(18(21)7-14)19(26)22-11-20(8-15-4-5-15)12-25(13-20)29(27,28)16-9-23-24(2)10-16;1-14-3-6-16(17(21)7-14)19(26)22-10-20(8-15-4-5-15)11-25(12-20)29(27,28)18-9-24(2)13-23-18/h3,6-7,9-10,15H,4-5,8,11-13H2,1-2H3,(H,22,26);3,6-7,9,13,15H,4-5,8,10-12H2,1-2H3,(H,22,26).
What are the key properties of 2-chloro-N-[[3-(cyclopropylmethyl)-1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(cyclopropylmethyl)-1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide?
2-chloro-N-[[3-(cyclopropylmethyl)-1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(cyclopropylmethyl)-1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide has a molecular weight of 873.93 g/mol, XLogP of 5.21, 14 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[3-(cyclopropylmethyl)-1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide;2-chloro-N-[[3-(cyclopropylmethyl)-1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]methyl]-4-methylbenzamide is sourced from PubChem (CID 91565953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).