(2S)-2-acetamido-N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-methylbutanamide

C20H24ClN3O4S — CID 26760351

IUPAC(2S)-2-acetamido-N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-methylbutanamide
SMILESCC(=O)N[C@H](C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1)C(C)C
InChIInChI=1S/C20H24ClN3O4S/c1-12(2)19(22-14(4)25)20(26)23-17-8-5-13(3)18(11-17)29(27,28)24-16-9-6-15(21)7-10-16/h5-12,19,24H,1-4H3,(H,22,25)(H,23,26)/t19-/m0/s1
InChIKeyUQVHAUSXEQAKRN-IBGZPJMESA-N
MW437.95 g/mol
LogP3.55
Rot. Bonds7

About (2S)-2-acetamido-N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-methylbutanamide

(2S)-2-acetamido-N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-methylbutanamide (PubChem CID 26760351) has the molecular formula C20H24ClN3O4S and a molecular weight of 437.95 g/mol. Its IUPAC name is (2S)-2-acetamido-N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-acetamido-N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-methylbutanamide
PubChem CID26760351
Molecular FormulaC20H24ClN3O4S
Molecular Weight437.95 g/mol
Exact Mass437.12
IUPAC Name(2S)-2-acetamido-N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-methylbutanamide
SMILESCC(=O)N[C@H](C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1)C(C)C
InChIInChI=1S/C20H24ClN3O4S/c1-12(2)19(22-14(4)25)20(26)23-17-8-5-13(3)18(11-17)29(27,28)24-16-9-6-15(21)7-10-16/h5-12,19,24H,1-4H3,(H,22,25)(H,23,26)/t19-/m0/s1
InChIKeyUQVHAUSXEQAKRN-IBGZPJMESA-N
XLogP3.55
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.95
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-bis[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]urea
CID 90145577
2-(carbamoylamino)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-3-methylbutanamide
CID 3383117
(2S)-2-acetamido-N-[4-chloro-3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-methylbutanamide
CID 25479876
1-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-(4-propan-2-ylphenyl)thiourea
CID 4025966
(2R)-2-acetamido-3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)butanamide
CID 9243660
N-[3-[(4-bromophenyl)sulfamoyl]-4-methylphenyl]-2-methylpropanamide
CID 25342391
(Z)-N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]-2-methylpent-2-enamide
CID 60587416
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]-2,6-difluorobenzamide
CID 36772113
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]cyclobutanecarboxamide
CID 9243824
(2R)-2-acetamido-3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide
CID 9219372
1-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 90101637
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]-4-oxo-4-phenylbutanamide
CID 42988703

Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-methylbutanamide?
The IUPAC name of (2S)-2-acetamido-N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-methylbutanamide (CID 26760351) is (2S)-2-acetamido-N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-methylbutanamide.
What is the SMILES notation for (2S)-2-acetamido-N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-methylbutanamide?
The canonical SMILES for (2S)-2-acetamido-N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-methylbutanamide is CC(=O)N[C@H](C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1)C(C)C.
What is the InChIKey of (2S)-2-acetamido-N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-methylbutanamide?
The InChIKey is UQVHAUSXEQAKRN-IBGZPJMESA-N. The full InChI is InChI=1S/C20H24ClN3O4S/c1-12(2)19(22-14(4)25)20(26)23-17-8-5-13(3)18(11-17)29(27,28)24-16-9-6-15(21)7-10-16/h5-12,19,24H,1-4H3,(H,22,25)(H,23,26)/t19-/m0/s1.
What are the key properties of (2S)-2-acetamido-N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-methylbutanamide?
(2S)-2-acetamido-N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-methylbutanamide has a molecular weight of 437.95 g/mol, XLogP of 3.55, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-methylbutanamide is sourced from PubChem (CID 26760351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).