(2S)-3-methyl-N-(4-methylcyclohexyl)-2-[(4-methylphenyl)sulfonylamino]butanamide

C19H30N2O3S — CID 2550601

IUPAC(2S)-3-methyl-N-(4-methylcyclohexyl)-2-[(4-methylphenyl)sulfonylamino]butanamide
SMILESCc1ccc(S(=O)(=O)N[C@H](C(=O)NC2CCC(C)CC2)C(C)C)cc1
InChIInChI=1S/C19H30N2O3S/c1-13(2)18(19(22)20-16-9-5-14(3)6-10-16)21-25(23,24)17-11-7-15(4)8-12-17/h7-8,11-14,16,18,21H,5-6,9-10H2,1-4H3,(H,20,22)/t14?,16?,18-/m0/s1
InChIKeySEHXTGMGYBJOPM-PVARCSIZSA-N
MW366.53 g/mol
LogP2.99
Rot. Bonds6

About (2S)-3-methyl-N-(4-methylcyclohexyl)-2-[(4-methylphenyl)sulfonylamino]butanamide

(2S)-3-methyl-N-(4-methylcyclohexyl)-2-[(4-methylphenyl)sulfonylamino]butanamide (PubChem CID 2550601) has the molecular formula C19H30N2O3S and a molecular weight of 366.53 g/mol. Its IUPAC name is (2S)-3-methyl-N-(4-methylcyclohexyl)-2-[(4-methylphenyl)sulfonylamino]butanamide.

Molecular Properties

Compound Name(2S)-3-methyl-N-(4-methylcyclohexyl)-2-[(4-methylphenyl)sulfonylamino]butanamide
PubChem CID2550601
Molecular FormulaC19H30N2O3S
Molecular Weight366.53 g/mol
Exact Mass366.20
IUPAC Name(2S)-3-methyl-N-(4-methylcyclohexyl)-2-[(4-methylphenyl)sulfonylamino]butanamide
SMILESCc1ccc(S(=O)(=O)N[C@H](C(=O)NC2CCC(C)CC2)C(C)C)cc1
InChIInChI=1S/C19H30N2O3S/c1-13(2)18(19(22)20-16-9-5-14(3)6-10-16)21-25(23,24)17-11-7-15(4)8-12-17/h7-8,11-14,16,18,21H,5-6,9-10H2,1-4H3,(H,20,22)/t14?,16?,18-/m0/s1
InChIKeySEHXTGMGYBJOPM-PVARCSIZSA-N
XLogP2.99
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-N-(4-methylcyclohexyl)-2-[(4-methylphenyl)sulfonylamino]butanamide?
The IUPAC name of (2S)-3-methyl-N-(4-methylcyclohexyl)-2-[(4-methylphenyl)sulfonylamino]butanamide (CID 2550601) is (2S)-3-methyl-N-(4-methylcyclohexyl)-2-[(4-methylphenyl)sulfonylamino]butanamide.
What is the SMILES notation for (2S)-3-methyl-N-(4-methylcyclohexyl)-2-[(4-methylphenyl)sulfonylamino]butanamide?
The canonical SMILES for (2S)-3-methyl-N-(4-methylcyclohexyl)-2-[(4-methylphenyl)sulfonylamino]butanamide is Cc1ccc(S(=O)(=O)N[C@H](C(=O)NC2CCC(C)CC2)C(C)C)cc1.
What is the InChIKey of (2S)-3-methyl-N-(4-methylcyclohexyl)-2-[(4-methylphenyl)sulfonylamino]butanamide?
The InChIKey is SEHXTGMGYBJOPM-PVARCSIZSA-N. The full InChI is InChI=1S/C19H30N2O3S/c1-13(2)18(19(22)20-16-9-5-14(3)6-10-16)21-25(23,24)17-11-7-15(4)8-12-17/h7-8,11-14,16,18,21H,5-6,9-10H2,1-4H3,(H,20,22)/t14?,16?,18-/m0/s1.
What are the key properties of (2S)-3-methyl-N-(4-methylcyclohexyl)-2-[(4-methylphenyl)sulfonylamino]butanamide?
(2S)-3-methyl-N-(4-methylcyclohexyl)-2-[(4-methylphenyl)sulfonylamino]butanamide has a molecular weight of 366.53 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-N-(4-methylcyclohexyl)-2-[(4-methylphenyl)sulfonylamino]butanamide is sourced from PubChem (CID 2550601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).