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

C18H21N3O4S2 — CID 7164097

IUPAC2-[[4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]amino]thiophene-3-carboxamide
SMILESC[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2sccc2C(N)=O)cc1
InChIInChI=1S/C18H21N3O4S2/c1-12-4-2-3-10-21(12)27(24,25)14-7-5-13(6-8-14)17(23)20-18-15(16(19)22)9-11-26-18/h5-9,11-12H,2-4,10H2,1H3,(H2,19,22)(H,20,23)/t12-/m0/s1
InChIKeyOQJYHQVPHBSSOA-LBPRGKRZSA-N
MW407.52 g/mol
LogP2.66
Rot. Bonds5

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

2-[[4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]amino]thiophene-3-carboxamide (PubChem CID 7164097) has the molecular formula C18H21N3O4S2 and a molecular weight of 407.52 g/mol. Its IUPAC name is 2-[[4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]amino]thiophene-3-carboxamide
PubChem CID7164097
Molecular FormulaC18H21N3O4S2
Molecular Weight407.52 g/mol
Exact Mass407.10
IUPAC Name2-[[4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]amino]thiophene-3-carboxamide
SMILESC[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2sccc2C(N)=O)cc1
InChIInChI=1S/C18H21N3O4S2/c1-12-4-2-3-10-21(12)27(24,25)14-7-5-13(6-8-14)17(23)20-18-15(16(19)22)9-11-26-18/h5-9,11-12H,2-4,10H2,1H3,(H2,19,22)(H,20,23)/t12-/m0/s1
InChIKeyOQJYHQVPHBSSOA-LBPRGKRZSA-N
XLogP2.66
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylbenzoyl]amino]-N-methylthiophene-3-carboxamide
CID 41187405
2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]thiophene-3-carboxamide
CID 5044047
N-(4-chlorophenyl)-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 8762440
(2R)-N-(3-carbamoylthiophen-2-yl)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 2649721
N-(5-methyl-1,3,4-oxadiazol-2-yl)-4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 2155664
4-(2-methylpiperidin-1-yl)sulfonyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
CID 4198033
4-(2-methylpiperidin-1-yl)sulfonyl-N-(5-methyl-2-pyridinyl)benzamide
CID 51274530
4-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 7166838
4-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 7166839
N-(1-amino-2-methylpropan-2-yl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 119524840
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 4578332
N-methyl-2-[[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 16825453

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]amino]thiophene-3-carboxamide?
The IUPAC name of 2-[[4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]amino]thiophene-3-carboxamide (CID 7164097) is 2-[[4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[[4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]amino]thiophene-3-carboxamide is C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2sccc2C(N)=O)cc1.
What is the InChIKey of 2-[[4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]amino]thiophene-3-carboxamide?
The InChIKey is OQJYHQVPHBSSOA-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H21N3O4S2/c1-12-4-2-3-10-21(12)27(24,25)14-7-5-13(6-8-14)17(23)20-18-15(16(19)22)9-11-26-18/h5-9,11-12H,2-4,10H2,1H3,(H2,19,22)(H,20,23)/t12-/m0/s1.
What are the key properties of 2-[[4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]amino]thiophene-3-carboxamide?
2-[[4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]amino]thiophene-3-carboxamide has a molecular weight of 407.52 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 7164097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).