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

C19H23N3O4S2 — CID 7167237

IUPACN-methyl-2-[[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]thiophene-3-carboxamide
SMILESCNC(=O)c1ccsc1NC(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C19H23N3O4S2/c1-13-7-10-22(11-8-13)28(25,26)15-5-3-14(4-6-15)17(23)21-19-16(9-12-27-19)18(24)20-2/h3-6,9,12-13H,7-8,10-11H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyUXNBNLWPJJFNHO-UHFFFAOYSA-N
MW421.54 g/mol
LogP2.78
Rot. Bonds5

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

N-methyl-2-[[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]thiophene-3-carboxamide (PubChem CID 7167237) has the molecular formula C19H23N3O4S2 and a molecular weight of 421.54 g/mol. Its IUPAC name is N-methyl-2-[[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-methyl-2-[[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]thiophene-3-carboxamide
PubChem CID7167237
Molecular FormulaC19H23N3O4S2
Molecular Weight421.54 g/mol
Exact Mass421.11
IUPAC NameN-methyl-2-[[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]thiophene-3-carboxamide
SMILESCNC(=O)c1ccsc1NC(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C19H23N3O4S2/c1-13-7-10-22(11-8-13)28(25,26)15-5-3-14(4-6-15)17(23)21-19-16(9-12-27-19)18(24)20-2/h3-6,9,12-13H,7-8,10-11H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyUXNBNLWPJJFNHO-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-(3-methylpiperidin-1-yl)sulfonylbenzoyl]amino]thiophene-3-carboxamide
CID 16815510
2-[[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylbenzoyl]amino]-N-methylthiophene-3-carboxamide
CID 41187405
2-[[4-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]amino]-N-methylthiophene-3-carboxamide
CID 12006182
methyl 2-[[4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]amino]thiophene-3-carboxylate
CID 18558965
2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]thiophene-3-carboxamide
CID 5044047
ethyl 2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]thiophene-3-carboxylate
CID 7166930
4-fluoro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 1010611
2-[[4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]amino]thiophene-3-carboxamide
CID 7164097
1-(4-methoxyphenyl)sulfonyl-N-[3-(methylcarbamoyl)thiophen-2-yl]piperidine-3-carboxamide
CID 16862939
4-(4-methylpiperidin-1-yl)sulfonyl-N-(5-methyl-2-pyridinyl)benzamide
CID 24982872
4-(4-methylpiperidin-1-yl)sulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 18274530
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-(propanoylamino)benzamide
CID 3307989

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]thiophene-3-carboxamide?
The IUPAC name of N-methyl-2-[[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]thiophene-3-carboxamide (CID 7167237) is N-methyl-2-[[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for N-methyl-2-[[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]thiophene-3-carboxamide?
The canonical SMILES for N-methyl-2-[[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]thiophene-3-carboxamide is CNC(=O)c1ccsc1NC(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1.
What is the InChIKey of N-methyl-2-[[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]thiophene-3-carboxamide?
The InChIKey is UXNBNLWPJJFNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S2/c1-13-7-10-22(11-8-13)28(25,26)15-5-3-14(4-6-15)17(23)21-19-16(9-12-27-19)18(24)20-2/h3-6,9,12-13H,7-8,10-11H2,1-2H3,(H,20,24)(H,21,23).
What are the key properties of N-methyl-2-[[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]thiophene-3-carboxamide?
N-methyl-2-[[4-(4-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-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 7167237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).