1-(2-chloro-4-morpholin-4-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide

C21H26ClN3O4S2 — CID 650322

IUPAC1-(2-chloro-4-morpholin-4-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1cccs1)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2Cl)CC1
InChIInChI=1S/C21H26ClN3O4S2/c22-19-14-18(31(27,28)25-9-11-29-12-10-25)3-4-20(19)24-7-5-16(6-8-24)21(26)23-15-17-2-1-13-30-17/h1-4,13-14,16H,5-12,15H2,(H,23,26)
InChIKeyXEFVRWDSWFRYER-UHFFFAOYSA-N
MW484.04 g/mol
LogP2.96
Rot. Bonds6

About 1-(2-chloro-4-morpholin-4-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide

1-(2-chloro-4-morpholin-4-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 650322) has the molecular formula C21H26ClN3O4S2 and a molecular weight of 484.04 g/mol. Its IUPAC name is 1-(2-chloro-4-morpholin-4-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-chloro-4-morpholin-4-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
PubChem CID650322
Molecular FormulaC21H26ClN3O4S2
Molecular Weight484.04 g/mol
Exact Mass483.11
IUPAC Name1-(2-chloro-4-morpholin-4-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1cccs1)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2Cl)CC1
InChIInChI=1S/C21H26ClN3O4S2/c22-19-14-18(31(27,28)25-9-11-29-12-10-25)3-4-20(19)24-7-5-16(6-8-24)21(26)23-15-17-2-1-13-30-17/h1-4,13-14,16H,5-12,15H2,(H,23,26)
InChIKeyXEFVRWDSWFRYER-UHFFFAOYSA-N
XLogP2.96
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.04
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-chloro-4-morpholin-4-ylsulfonylphenyl)-N-propylpiperidine-4-carboxamide
CID 3227693
1-acetyl-5-morpholin-4-ylsulfonyl-N-(thiophen-2-ylmethyl)-2,3-dihydroindole-2-carboxamide
CID 20956655
1-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 3242699
1-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 53106237
(2R)-5-piperidin-1-ylsulfonyl-1-propanoyl-N-(thiophen-2-ylmethyl)-2,3-dihydroindole-2-carboxamide
CID 92725524
2-(3,3-dimethyl-5-morpholin-4-ylsulfonyl-2-oxoindol-1-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 50767840
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]cyclopropanecarboxamide
CID 17436529
(3S)-1-(4-fluorophenyl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 1456645
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-4-carboxamide
CID 119271576
4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide
CID 46349331
N-hexyl-1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperidine-4-carboxamide
CID 26264672
N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
CID 7551095

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-morpholin-4-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-chloro-4-morpholin-4-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide (CID 650322) is 1-(2-chloro-4-morpholin-4-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-chloro-4-morpholin-4-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-chloro-4-morpholin-4-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide is O=C(NCc1cccs1)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2Cl)CC1.
What is the InChIKey of 1-(2-chloro-4-morpholin-4-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is XEFVRWDSWFRYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O4S2/c22-19-14-18(31(27,28)25-9-11-29-12-10-25)3-4-20(19)24-7-5-16(6-8-24)21(26)23-15-17-2-1-13-30-17/h1-4,13-14,16H,5-12,15H2,(H,23,26).
What are the key properties of 1-(2-chloro-4-morpholin-4-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
1-(2-chloro-4-morpholin-4-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 484.04 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-morpholin-4-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 650322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).