(2R)-2-[(4-chlorophenyl)sulfonyl-(cyclohexylmethyl)amino]-4-methylpentanamide

C19H29ClN2O3S — CID 71455079

IUPAC(2R)-2-[(4-chlorophenyl)sulfonyl-(cyclohexylmethyl)amino]-4-methylpentanamide
SMILESCC(C)C[C@H](C(N)=O)N(CC1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H29ClN2O3S/c1-14(2)12-18(19(21)23)22(13-15-6-4-3-5-7-15)26(24,25)17-10-8-16(20)9-11-17/h8-11,14-15,18H,3-7,12-13H2,1-2H3,(H2,21,23)/t18-/m1/s1
InChIKeyCFPCZIANBDRPBC-GOSISDBHSA-N
MW400.97 g/mol
LogP3.81
Rot. Bonds8

About (2R)-2-[(4-chlorophenyl)sulfonyl-(cyclohexylmethyl)amino]-4-methylpentanamide

(2R)-2-[(4-chlorophenyl)sulfonyl-(cyclohexylmethyl)amino]-4-methylpentanamide (PubChem CID 71455079) has the molecular formula C19H29ClN2O3S and a molecular weight of 400.97 g/mol. Its IUPAC name is (2R)-2-[(4-chlorophenyl)sulfonyl-(cyclohexylmethyl)amino]-4-methylpentanamide.

Molecular Properties

Compound Name(2R)-2-[(4-chlorophenyl)sulfonyl-(cyclohexylmethyl)amino]-4-methylpentanamide
PubChem CID71455079
Molecular FormulaC19H29ClN2O3S
Molecular Weight400.97 g/mol
Exact Mass400.16
IUPAC Name(2R)-2-[(4-chlorophenyl)sulfonyl-(cyclohexylmethyl)amino]-4-methylpentanamide
SMILESCC(C)C[C@H](C(N)=O)N(CC1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H29ClN2O3S/c1-14(2)12-18(19(21)23)22(13-15-6-4-3-5-7-15)26(24,25)17-10-8-16(20)9-11-17/h8-11,14-15,18H,3-7,12-13H2,1-2H3,(H2,21,23)/t18-/m1/s1
InChIKeyCFPCZIANBDRPBC-GOSISDBHSA-N
XLogP3.81
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.97
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-chlorophenyl)sulfonyl-(cyclohexylmethyl)amino]-4-methylpentanamide?
The IUPAC name of (2R)-2-[(4-chlorophenyl)sulfonyl-(cyclohexylmethyl)amino]-4-methylpentanamide (CID 71455079) is (2R)-2-[(4-chlorophenyl)sulfonyl-(cyclohexylmethyl)amino]-4-methylpentanamide.
What is the SMILES notation for (2R)-2-[(4-chlorophenyl)sulfonyl-(cyclohexylmethyl)amino]-4-methylpentanamide?
The canonical SMILES for (2R)-2-[(4-chlorophenyl)sulfonyl-(cyclohexylmethyl)amino]-4-methylpentanamide is CC(C)C[C@H](C(N)=O)N(CC1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of (2R)-2-[(4-chlorophenyl)sulfonyl-(cyclohexylmethyl)amino]-4-methylpentanamide?
The InChIKey is CFPCZIANBDRPBC-GOSISDBHSA-N. The full InChI is InChI=1S/C19H29ClN2O3S/c1-14(2)12-18(19(21)23)22(13-15-6-4-3-5-7-15)26(24,25)17-10-8-16(20)9-11-17/h8-11,14-15,18H,3-7,12-13H2,1-2H3,(H2,21,23)/t18-/m1/s1.
What are the key properties of (2R)-2-[(4-chlorophenyl)sulfonyl-(cyclohexylmethyl)amino]-4-methylpentanamide?
(2R)-2-[(4-chlorophenyl)sulfonyl-(cyclohexylmethyl)amino]-4-methylpentanamide has a molecular weight of 400.97 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-chlorophenyl)sulfonyl-(cyclohexylmethyl)amino]-4-methylpentanamide is sourced from PubChem (CID 71455079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).