2-[[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylbenzoyl]amino]-N-methylthiophene-3-carboxamide

C20H25N3O4S2 — CID 41187405

IUPAC2-[[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylbenzoyl]amino]-N-methylthiophene-3-carboxamide
SMILESCC[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2sccc2C(=O)NC)cc1
InChIInChI=1S/C20H25N3O4S2/c1-3-15-6-4-5-12-23(15)29(26,27)16-9-7-14(8-10-16)18(24)22-20-17(11-13-28-20)19(25)21-2/h7-11,13,15H,3-6,12H2,1-2H3,(H,21,25)(H,22,24)/t15-/m1/s1
InChIKeyNUSPFWNMXPWJLW-OAHLLOKOSA-N
MW435.57 g/mol
LogP3.31
Rot. Bonds6

About 2-[[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylbenzoyl]amino]-N-methylthiophene-3-carboxamide

2-[[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylbenzoyl]amino]-N-methylthiophene-3-carboxamide (PubChem CID 41187405) has the molecular formula C20H25N3O4S2 and a molecular weight of 435.57 g/mol. Its IUPAC name is 2-[[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylbenzoyl]amino]-N-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylbenzoyl]amino]-N-methylthiophene-3-carboxamide
PubChem CID41187405
Molecular FormulaC20H25N3O4S2
Molecular Weight435.57 g/mol
Exact Mass435.13
IUPAC Name2-[[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylbenzoyl]amino]-N-methylthiophene-3-carboxamide
SMILESCC[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2sccc2C(=O)NC)cc1
InChIInChI=1S/C20H25N3O4S2/c1-3-15-6-4-5-12-23(15)29(26,27)16-9-7-14(8-10-16)18(24)22-20-17(11-13-28-20)19(25)21-2/h7-11,13,15H,3-6,12H2,1-2H3,(H,21,25)(H,22,24)/t15-/m1/s1
InChIKeyNUSPFWNMXPWJLW-OAHLLOKOSA-N
XLogP3.31
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylbenzoyl]amino]-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 41140010
2-[[4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]amino]thiophene-3-carboxamide
CID 7164097
N-methyl-2-[[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]thiophene-3-carboxamide
CID 7167237
N-methyl-2-[[4-(3-methylpiperidin-1-yl)sulfonylbenzoyl]amino]thiophene-3-carboxamide
CID 16815510
6-acetyl-2-[[4-(2-ethylpiperidin-1-yl)sulfonylbenzoyl]amino]-N-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4614006
4-chloro-N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]benzamide
CID 41121275
4-(2-ethylpiperidin-1-yl)sulfonyl-N-(2-methylpropyl)benzamide
CID 109058846
4-(2-ethylpiperidin-1-yl)sulfonyl-N-(2-methylphenyl)benzamide
CID 109061511
N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]-4-nitrobenzamide
CID 7381709
N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide
CID 16942353
4-(2-ethylpiperidin-1-yl)sulfonyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 3338156
4-[(2S)-2-ethylpiperidin-1-yl]sulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
CID 92693382

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylbenzoyl]amino]-N-methylthiophene-3-carboxamide?
The IUPAC name of 2-[[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylbenzoyl]amino]-N-methylthiophene-3-carboxamide (CID 41187405) is 2-[[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylbenzoyl]amino]-N-methylthiophene-3-carboxamide.
What is the SMILES notation for 2-[[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylbenzoyl]amino]-N-methylthiophene-3-carboxamide?
The canonical SMILES for 2-[[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylbenzoyl]amino]-N-methylthiophene-3-carboxamide is CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2sccc2C(=O)NC)cc1.
What is the InChIKey of 2-[[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylbenzoyl]amino]-N-methylthiophene-3-carboxamide?
The InChIKey is NUSPFWNMXPWJLW-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H25N3O4S2/c1-3-15-6-4-5-12-23(15)29(26,27)16-9-7-14(8-10-16)18(24)22-20-17(11-13-28-20)19(25)21-2/h7-11,13,15H,3-6,12H2,1-2H3,(H,21,25)(H,22,24)/t15-/m1/s1.
What are the key properties of 2-[[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylbenzoyl]amino]-N-methylthiophene-3-carboxamide?
2-[[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylbenzoyl]amino]-N-methylthiophene-3-carboxamide has a molecular weight of 435.57 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylbenzoyl]amino]-N-methylthiophene-3-carboxamide is sourced from PubChem (CID 41187405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).