3-[[5-[4-(4-carbamoylanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-4-chlorobenzamide

C24H25ClN4O4S2 — CID 142776617

IUPAC3-[[5-[4-(4-carbamoylanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-4-chlorobenzamide
SMILESNC(=O)c1ccc(NC2CCN(S(=O)(=O)c3ccc(Cc4cc(C(N)=O)ccc4Cl)s3)CC2)cc1
InChIInChI=1S/C24H25ClN4O4S2/c25-21-7-3-16(24(27)31)13-17(21)14-20-6-8-22(34-20)35(32,33)29-11-9-19(10-12-29)28-18-4-1-15(2-5-18)23(26)30/h1-8,13,19,28H,9-12,14H2,(H2,26,30)(H2,27,31)
InChIKeyNWZOGIBFXZUJDW-UHFFFAOYSA-N
MW533.08 g/mol
LogP3.46
Rot. Bonds8

About 3-[[5-[4-(4-carbamoylanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-4-chlorobenzamide

3-[[5-[4-(4-carbamoylanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-4-chlorobenzamide (PubChem CID 142776617) has the molecular formula C24H25ClN4O4S2 and a molecular weight of 533.08 g/mol. Its IUPAC name is 3-[[5-[4-(4-carbamoylanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-4-chlorobenzamide.

Molecular Properties

Compound Name3-[[5-[4-(4-carbamoylanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-4-chlorobenzamide
PubChem CID142776617
Molecular FormulaC24H25ClN4O4S2
Molecular Weight533.08 g/mol
Exact Mass532.10
IUPAC Name3-[[5-[4-(4-carbamoylanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-4-chlorobenzamide
SMILESNC(=O)c1ccc(NC2CCN(S(=O)(=O)c3ccc(Cc4cc(C(N)=O)ccc4Cl)s3)CC2)cc1
InChIInChI=1S/C24H25ClN4O4S2/c25-21-7-3-16(24(27)31)13-17(21)14-20-6-8-22(34-20)35(32,33)29-11-9-19(10-12-29)28-18-4-1-15(2-5-18)23(26)30/h1-8,13,19,28H,9-12,14H2,(H2,26,30)(H2,27,31)
InChIKeyNWZOGIBFXZUJDW-UHFFFAOYSA-N
XLogP3.46
TPSA135.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.08
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[5-[4-(butylamino)azepan-1-yl]sulfonylthiophen-2-yl]methyl]-4-chlorobenzamide
CID 142776657
N-[[5-[4-(4-carbamoylanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-nitrobenzamide
CID 57443842
4-chloro-N-[[5-[4-(4-chloroanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;4-chloro-N-[[5-[4-[4-(trifluoromethyl)anilino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
CID 87631975
3-nitro-2-[[5-[4-(3-nitroanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
CID 142776647
5-[[5-(4-anilinopiperidin-1-yl)sulfonylthiophen-2-yl]methyl]-5-methoxycyclohexa-1,3-diene-1-carboxamide
CID 142776690
N-[[5-(4-anilinopiperidin-1-yl)sulfonylthiophen-2-yl]methyl]-3-methoxybenzamide
CID 57443892
4-(cyclopropylamino)benzamide
CID 103605968
N-[1-[5-(aminomethyl)thiophen-2-yl]sulfonylpiperidin-4-yl]acetamide
CID 106266502
3-[[3-chloro-5-[4-(3-chloroanilino)piperidin-1-yl]sulfonylfuran-2-yl]methyl]benzamide
CID 142776683
3-[methoxy-[5-[4-(3-propylanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
CID 142776661
3-nitro-N-[[5-[4-[4-(trifluoromethylsulfonyl)anilino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
CID 67403728
N-[[5-[4-(3-benzylanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-4-nitrobenzamide;4-nitro-N-[[5-[4-(3-phenylanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
CID 157095856

Frequently Asked Questions

What is the IUPAC name of 3-[[5-[4-(4-carbamoylanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-4-chlorobenzamide?
The IUPAC name of 3-[[5-[4-(4-carbamoylanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-4-chlorobenzamide (CID 142776617) is 3-[[5-[4-(4-carbamoylanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-4-chlorobenzamide.
What is the SMILES notation for 3-[[5-[4-(4-carbamoylanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-4-chlorobenzamide?
The canonical SMILES for 3-[[5-[4-(4-carbamoylanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-4-chlorobenzamide is NC(=O)c1ccc(NC2CCN(S(=O)(=O)c3ccc(Cc4cc(C(N)=O)ccc4Cl)s3)CC2)cc1.
What is the InChIKey of 3-[[5-[4-(4-carbamoylanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-4-chlorobenzamide?
The InChIKey is NWZOGIBFXZUJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4O4S2/c25-21-7-3-16(24(27)31)13-17(21)14-20-6-8-22(34-20)35(32,33)29-11-9-19(10-12-29)28-18-4-1-15(2-5-18)23(26)30/h1-8,13,19,28H,9-12,14H2,(H2,26,30)(H2,27,31).
What are the key properties of 3-[[5-[4-(4-carbamoylanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-4-chlorobenzamide?
3-[[5-[4-(4-carbamoylanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-4-chlorobenzamide has a molecular weight of 533.08 g/mol, XLogP of 3.46, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-[4-(4-carbamoylanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-4-chlorobenzamide is sourced from PubChem (CID 142776617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).