1-(5-chlorothiophen-2-yl)sulfonyl-4-phenyl-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide

C24H25ClN2O3S2 — CID 41070987

IUPAC1-(5-chlorothiophen-2-yl)sulfonyl-4-phenyl-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
SMILESC[C@@H](NC(=O)C1(c2ccccc2)CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)c1ccccc1
InChIInChI=1S/C24H25ClN2O3S2/c1-18(19-8-4-2-5-9-19)26-23(28)24(20-10-6-3-7-11-20)14-16-27(17-15-24)32(29,30)22-13-12-21(25)31-22/h2-13,18H,14-17H2,1H3,(H,26,28)/t18-/m1/s1
InChIKeyIGRCLVUDSXDFBA-GOSISDBHSA-N
MW489.06 g/mol
LogP5.00
Rot. Bonds6

About 1-(5-chlorothiophen-2-yl)sulfonyl-4-phenyl-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide

1-(5-chlorothiophen-2-yl)sulfonyl-4-phenyl-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide (PubChem CID 41070987) has the molecular formula C24H25ClN2O3S2 and a molecular weight of 489.06 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)sulfonyl-4-phenyl-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)sulfonyl-4-phenyl-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
PubChem CID41070987
Molecular FormulaC24H25ClN2O3S2
Molecular Weight489.06 g/mol
Exact Mass488.10
IUPAC Name1-(5-chlorothiophen-2-yl)sulfonyl-4-phenyl-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
SMILESC[C@@H](NC(=O)C1(c2ccccc2)CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)c1ccccc1
InChIInChI=1S/C24H25ClN2O3S2/c1-18(19-8-4-2-5-9-19)26-23(28)24(20-10-6-3-7-11-20)14-16-27(17-15-24)32(29,30)22-13-12-21(25)31-22/h2-13,18H,14-17H2,1H3,(H,26,28)/t18-/m1/s1
InChIKeyIGRCLVUDSXDFBA-GOSISDBHSA-N
XLogP5.00
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.06
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-4-phenyl-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-4-phenyl-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide (CID 41070987) is 1-(5-chlorothiophen-2-yl)sulfonyl-4-phenyl-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)sulfonyl-4-phenyl-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)sulfonyl-4-phenyl-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide is C[C@@H](NC(=O)C1(c2ccccc2)CCN(S(=O)(=O)c2ccc(Cl)s2)CC1)c1ccccc1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)sulfonyl-4-phenyl-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide?
The InChIKey is IGRCLVUDSXDFBA-GOSISDBHSA-N. The full InChI is InChI=1S/C24H25ClN2O3S2/c1-18(19-8-4-2-5-9-19)26-23(28)24(20-10-6-3-7-11-20)14-16-27(17-15-24)32(29,30)22-13-12-21(25)31-22/h2-13,18H,14-17H2,1H3,(H,26,28)/t18-/m1/s1.
What are the key properties of 1-(5-chlorothiophen-2-yl)sulfonyl-4-phenyl-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide?
1-(5-chlorothiophen-2-yl)sulfonyl-4-phenyl-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide has a molecular weight of 489.06 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)sulfonyl-4-phenyl-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide is sourced from PubChem (CID 41070987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).