N-methyl-2-[[4-(3-methylpiperidin-1-yl)sulfonylbenzoyl]amino]thiophene-3-carboxamide

C19H23N3O4S2 — CID 16815510

IUPACN-methyl-2-[[4-(3-methylpiperidin-1-yl)sulfonylbenzoyl]amino]thiophene-3-carboxamide
SMILESCNC(=O)c1ccsc1NC(=O)c1ccc(S(=O)(=O)N2CCCC(C)C2)cc1
InChIInChI=1S/C19H23N3O4S2/c1-13-4-3-10-22(12-13)28(25,26)15-7-5-14(6-8-15)17(23)21-19-16(9-11-27-19)18(24)20-2/h5-9,11,13H,3-4,10,12H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyRWXSAZAECQHCGO-UHFFFAOYSA-N
MW421.54 g/mol
LogP2.78
Rot. Bonds5

About N-methyl-2-[[4-(3-methylpiperidin-1-yl)sulfonylbenzoyl]amino]thiophene-3-carboxamide

N-methyl-2-[[4-(3-methylpiperidin-1-yl)sulfonylbenzoyl]amino]thiophene-3-carboxamide (PubChem CID 16815510) has the molecular formula C19H23N3O4S2 and a molecular weight of 421.54 g/mol. Its IUPAC name is N-methyl-2-[[4-(3-methylpiperidin-1-yl)sulfonylbenzoyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-methyl-2-[[4-(3-methylpiperidin-1-yl)sulfonylbenzoyl]amino]thiophene-3-carboxamide
PubChem CID16815510
Molecular FormulaC19H23N3O4S2
Molecular Weight421.54 g/mol
Exact Mass421.11
IUPAC NameN-methyl-2-[[4-(3-methylpiperidin-1-yl)sulfonylbenzoyl]amino]thiophene-3-carboxamide
SMILESCNC(=O)c1ccsc1NC(=O)c1ccc(S(=O)(=O)N2CCCC(C)C2)cc1
InChIInChI=1S/C19H23N3O4S2/c1-13-4-3-10-22(12-13)28(25,26)15-7-5-14(6-8-15)17(23)21-19-16(9-11-27-19)18(24)20-2/h5-9,11,13H,3-4,10,12H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyRWXSAZAECQHCGO-UHFFFAOYSA-N
XLogP2.78
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-[[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]thiophene-3-carboxamide
CID 7167237
1-(4-methoxyphenyl)sulfonyl-N-[3-(methylcarbamoyl)thiophen-2-yl]piperidine-3-carboxamide
CID 16862939
2-[[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylbenzoyl]amino]-N-methylthiophene-3-carboxamide
CID 41187405
methyl 2-[[4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]amino]thiophene-3-carboxylate
CID 18558965
4-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzoic acid
CID 1132674
4-(3-methylpiperidin-1-yl)sulfonylbenzoic acid
CID 2770974
4-(3-methylpiperidin-1-yl)sulfonyl-N-(2-methylpropyl)benzamide
CID 109058847
N-(1,3-benzothiazol-6-yl)-4-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 16831300
4-methoxy-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 17311372
4-(3-methylpiperidin-1-yl)sulfonyl-N-(4-methylsulfanylphenyl)benzamide
CID 16811498
4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzoate
CID 6969777
2-[[4-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]-N-methylthiophene-3-carboxamide
CID 12006182

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[4-(3-methylpiperidin-1-yl)sulfonylbenzoyl]amino]thiophene-3-carboxamide?
The IUPAC name of N-methyl-2-[[4-(3-methylpiperidin-1-yl)sulfonylbenzoyl]amino]thiophene-3-carboxamide (CID 16815510) is N-methyl-2-[[4-(3-methylpiperidin-1-yl)sulfonylbenzoyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for N-methyl-2-[[4-(3-methylpiperidin-1-yl)sulfonylbenzoyl]amino]thiophene-3-carboxamide?
The canonical SMILES for N-methyl-2-[[4-(3-methylpiperidin-1-yl)sulfonylbenzoyl]amino]thiophene-3-carboxamide is CNC(=O)c1ccsc1NC(=O)c1ccc(S(=O)(=O)N2CCCC(C)C2)cc1.
What is the InChIKey of N-methyl-2-[[4-(3-methylpiperidin-1-yl)sulfonylbenzoyl]amino]thiophene-3-carboxamide?
The InChIKey is RWXSAZAECQHCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S2/c1-13-4-3-10-22(12-13)28(25,26)15-7-5-14(6-8-15)17(23)21-19-16(9-11-27-19)18(24)20-2/h5-9,11,13H,3-4,10,12H2,1-2H3,(H,20,24)(H,21,23).
What are the key properties of N-methyl-2-[[4-(3-methylpiperidin-1-yl)sulfonylbenzoyl]amino]thiophene-3-carboxamide?
N-methyl-2-[[4-(3-methylpiperidin-1-yl)sulfonylbenzoyl]amino]thiophene-3-carboxamide has a molecular weight of 421.54 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[4-(3-methylpiperidin-1-yl)sulfonylbenzoyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 16815510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).