4-chloro-N-[[5-[4-(2-methoxyanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide

C24H26ClN3O4S2 — CID 57443806

IUPAC4-chloro-N-[[5-[4-(2-methoxyanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
SMILESCOc1ccccc1NC1CCN(S(=O)(=O)c2ccc(CNC(=O)c3ccc(Cl)cc3)s2)CC1
InChIInChI=1S/C24H26ClN3O4S2/c1-32-22-5-3-2-4-21(22)27-19-12-14-28(15-13-19)34(30,31)23-11-10-20(33-23)16-26-24(29)17-6-8-18(25)9-7-17/h2-11,19,27H,12-16H2,1H3,(H,26,29)
InChIKeyTWEDQMARYYHGLN-UHFFFAOYSA-N
MW520.08 g/mol
LogP4.61
Rot. Bonds8

About 4-chloro-N-[[5-[4-(2-methoxyanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide

4-chloro-N-[[5-[4-(2-methoxyanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide (PubChem CID 57443806) has the molecular formula C24H26ClN3O4S2 and a molecular weight of 520.08 g/mol. Its IUPAC name is 4-chloro-N-[[5-[4-(2-methoxyanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[[5-[4-(2-methoxyanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
PubChem CID57443806
Molecular FormulaC24H26ClN3O4S2
Molecular Weight520.08 g/mol
Exact Mass519.11
IUPAC Name4-chloro-N-[[5-[4-(2-methoxyanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
SMILESCOc1ccccc1NC1CCN(S(=O)(=O)c2ccc(CNC(=O)c3ccc(Cl)cc3)s2)CC1
InChIInChI=1S/C24H26ClN3O4S2/c1-32-22-5-3-2-4-21(22)27-19-12-14-28(15-13-19)34(30,31)23-11-10-20(33-23)16-26-24(29)17-6-8-18(25)9-7-17/h2-11,19,27H,12-16H2,1H3,(H,26,29)
InChIKeyTWEDQMARYYHGLN-UHFFFAOYSA-N
XLogP4.61
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.08
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[5-[4-(2-methoxyanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide?
The IUPAC name of 4-chloro-N-[[5-[4-(2-methoxyanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide (CID 57443806) is 4-chloro-N-[[5-[4-(2-methoxyanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide.
What is the SMILES notation for 4-chloro-N-[[5-[4-(2-methoxyanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide?
The canonical SMILES for 4-chloro-N-[[5-[4-(2-methoxyanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide is COc1ccccc1NC1CCN(S(=O)(=O)c2ccc(CNC(=O)c3ccc(Cl)cc3)s2)CC1.
What is the InChIKey of 4-chloro-N-[[5-[4-(2-methoxyanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide?
The InChIKey is TWEDQMARYYHGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O4S2/c1-32-22-5-3-2-4-21(22)27-19-12-14-28(15-13-19)34(30,31)23-11-10-20(33-23)16-26-24(29)17-6-8-18(25)9-7-17/h2-11,19,27H,12-16H2,1H3,(H,26,29).
What are the key properties of 4-chloro-N-[[5-[4-(2-methoxyanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide?
4-chloro-N-[[5-[4-(2-methoxyanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide has a molecular weight of 520.08 g/mol, XLogP of 4.61, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[5-[4-(2-methoxyanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide is sourced from PubChem (CID 57443806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).