N-(2-imidazol-1-ylethyl)-3-[(2-methoxyphenyl)methylamino]-5-pyrrolidin-1-ylsulfonylbenzamide

C24H29N5O4S — CID 26221046

IUPACN-(2-imidazol-1-ylethyl)-3-[(2-methoxyphenyl)methylamino]-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESCOc1ccccc1CNc1cc(C(=O)NCCn2ccnc2)cc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C24H29N5O4S/c1-33-23-7-3-2-6-19(23)17-27-21-14-20(24(30)26-9-13-28-12-8-25-18-28)15-22(16-21)34(31,32)29-10-4-5-11-29/h2-3,6-8,12,14-16,18,27H,4-5,9-11,13,17H2,1H3,(H,26,30)
InChIKeyVAXVNCAPYUOFAU-UHFFFAOYSA-N
MW483.59 g/mol
LogP2.72
Rot. Bonds10

About N-(2-imidazol-1-ylethyl)-3-[(2-methoxyphenyl)methylamino]-5-pyrrolidin-1-ylsulfonylbenzamide

N-(2-imidazol-1-ylethyl)-3-[(2-methoxyphenyl)methylamino]-5-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 26221046) has the molecular formula C24H29N5O4S and a molecular weight of 483.59 g/mol. Its IUPAC name is N-(2-imidazol-1-ylethyl)-3-[(2-methoxyphenyl)methylamino]-5-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2-imidazol-1-ylethyl)-3-[(2-methoxyphenyl)methylamino]-5-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID26221046
Molecular FormulaC24H29N5O4S
Molecular Weight483.59 g/mol
Exact Mass483.19
IUPAC NameN-(2-imidazol-1-ylethyl)-3-[(2-methoxyphenyl)methylamino]-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESCOc1ccccc1CNc1cc(C(=O)NCCn2ccnc2)cc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C24H29N5O4S/c1-33-23-7-3-2-6-19(23)17-27-21-14-20(24(30)26-9-13-28-12-8-25-18-28)15-22(16-21)34(31,32)29-10-4-5-11-29/h2-3,6-8,12,14-16,18,27H,4-5,9-11,13,17H2,1H3,(H,26,30)
InChIKeyVAXVNCAPYUOFAU-UHFFFAOYSA-N
XLogP2.72
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.59
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-imidazol-1-ylpropyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide
CID 18892264
3-(cyclohexylmethylamino)-N-(2-imidazol-1-ylethyl)-5-(phenylsulfamoyl)benzamide
CID 26230555
N-(2-imidazol-1-ylethyl)-3-[(5-methylthiophen-2-yl)methylamino]-5-(phenylsulfamoyl)benzamide
CID 26144178
N-[2-(2-methoxyphenoxy)ethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 43009482
3-[(2,6-difluorophenyl)methylamino]-N-(pyridin-2-ylmethyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26215762
3-[[(1R)-cyclohex-3-en-1-yl]methylamino]-N-(2-imidazol-1-ylethyl)-5-(phenylsulfamoyl)benzamide
CID 26233143
4-fluoro-N-(3-imidazol-1-ylpropyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 78858270
4-chloro-N-(3-imidazol-1-ylpropyl)-3-piperidin-1-ylsulfonylbenzamide
CID 30944265
N'-[2-(2-methoxyphenyl)acetyl]-3-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 9093828
4-amino-N-(2-imidazol-1-ylethyl)-3-methoxybenzamide
CID 104782700
2-bromo-N-[(2-methoxyphenyl)methyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26734286
3-(azepan-1-ylsulfonyl)-N-[(2-methoxyphenyl)methyl]-1-methylpyrazole-4-carboxamide
CID 53142922

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylethyl)-3-[(2-methoxyphenyl)methylamino]-5-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(2-imidazol-1-ylethyl)-3-[(2-methoxyphenyl)methylamino]-5-pyrrolidin-1-ylsulfonylbenzamide (CID 26221046) is N-(2-imidazol-1-ylethyl)-3-[(2-methoxyphenyl)methylamino]-5-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(2-imidazol-1-ylethyl)-3-[(2-methoxyphenyl)methylamino]-5-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(2-imidazol-1-ylethyl)-3-[(2-methoxyphenyl)methylamino]-5-pyrrolidin-1-ylsulfonylbenzamide is COc1ccccc1CNc1cc(C(=O)NCCn2ccnc2)cc(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of N-(2-imidazol-1-ylethyl)-3-[(2-methoxyphenyl)methylamino]-5-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is VAXVNCAPYUOFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O4S/c1-33-23-7-3-2-6-19(23)17-27-21-14-20(24(30)26-9-13-28-12-8-25-18-28)15-22(16-21)34(31,32)29-10-4-5-11-29/h2-3,6-8,12,14-16,18,27H,4-5,9-11,13,17H2,1H3,(H,26,30).
What are the key properties of N-(2-imidazol-1-ylethyl)-3-[(2-methoxyphenyl)methylamino]-5-pyrrolidin-1-ylsulfonylbenzamide?
N-(2-imidazol-1-ylethyl)-3-[(2-methoxyphenyl)methylamino]-5-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 483.59 g/mol, XLogP of 2.72, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylethyl)-3-[(2-methoxyphenyl)methylamino]-5-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 26221046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).