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

C19H21Cl2N3O4S — CID 25479876

IUPAC(2S)-2-acetamido-N-[4-chloro-3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-methylbutanamide
SMILESCC(=O)N[C@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccccc2Cl)c1)C(C)C
InChIInChI=1S/C19H21Cl2N3O4S/c1-11(2)18(22-12(3)25)19(26)23-13-8-9-15(21)17(10-13)29(27,28)24-16-7-5-4-6-14(16)20/h4-11,18,24H,1-3H3,(H,22,25)(H,23,26)/t18-/m0/s1
InChIKeyFPMYVZCDZWTTRW-SFHVURJKSA-N
MW458.37 g/mol
LogP3.89
Rot. Bonds7

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

(2S)-2-acetamido-N-[4-chloro-3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-methylbutanamide (PubChem CID 25479876) has the molecular formula C19H21Cl2N3O4S and a molecular weight of 458.37 g/mol. Its IUPAC name is (2S)-2-acetamido-N-[4-chloro-3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-acetamido-N-[4-chloro-3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-methylbutanamide
PubChem CID25479876
Molecular FormulaC19H21Cl2N3O4S
Molecular Weight458.37 g/mol
Exact Mass457.06
IUPAC Name(2S)-2-acetamido-N-[4-chloro-3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-methylbutanamide
SMILESCC(=O)N[C@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccccc2Cl)c1)C(C)C
InChIInChI=1S/C19H21Cl2N3O4S/c1-11(2)18(22-12(3)25)19(26)23-13-8-9-15(21)17(10-13)29(27,28)24-16-7-5-4-6-14(16)20/h4-11,18,24H,1-3H3,(H,22,25)(H,23,26)/t18-/m0/s1
InChIKeyFPMYVZCDZWTTRW-SFHVURJKSA-N
XLogP3.89
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.37
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-acetamido-N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-methylbutanamide
CID 26760351
(2R)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-2-methylbutanamide
CID 35560710
N-[4-chloro-3-[(2-chlorophenyl)sulfamoyl]phenyl]prop-2-enamide
CID 167764718
methyl 5-[(2-acetamido-3-methylbutanoyl)amino]-2-chlorobenzoate
CID 134003465
N-[4-chloro-3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(3-fluorophenyl)prop-2-enamide
CID 3395431
4-[(2-acetamido-3-methylbutanoyl)amino]-2-chlorobenzoic acid
CID 61398318
2-acetamido-N-(4-amino-3,5-dichlorophenyl)-3-methylbutanamide
CID 46665139
2-acetamido-N-(3-acetylphenyl)-3-methylbutanamide
CID 17424287
(2R)-N-[3-[(4-bromophenyl)sulfamoyl]-4-chlorophenyl]-2-(carbamoylamino)propanamide
CID 41094177
ethyl 5-[(2-acetamido-3-methylbutanoyl)amino]-2-chlorobenzoate
CID 47064806
N-[1-(5-acetamido-2-chloroanilino)-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 55916331
N-[4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2,2-diphenylacetamide
CID 167784239

Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-N-[4-chloro-3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-methylbutanamide?
The IUPAC name of (2S)-2-acetamido-N-[4-chloro-3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-methylbutanamide (CID 25479876) is (2S)-2-acetamido-N-[4-chloro-3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-methylbutanamide.
What is the SMILES notation for (2S)-2-acetamido-N-[4-chloro-3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-methylbutanamide?
The canonical SMILES for (2S)-2-acetamido-N-[4-chloro-3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-methylbutanamide is CC(=O)N[C@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccccc2Cl)c1)C(C)C.
What is the InChIKey of (2S)-2-acetamido-N-[4-chloro-3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-methylbutanamide?
The InChIKey is FPMYVZCDZWTTRW-SFHVURJKSA-N. The full InChI is InChI=1S/C19H21Cl2N3O4S/c1-11(2)18(22-12(3)25)19(26)23-13-8-9-15(21)17(10-13)29(27,28)24-16-7-5-4-6-14(16)20/h4-11,18,24H,1-3H3,(H,22,25)(H,23,26)/t18-/m0/s1.
What are the key properties of (2S)-2-acetamido-N-[4-chloro-3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-methylbutanamide?
(2S)-2-acetamido-N-[4-chloro-3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-methylbutanamide has a molecular weight of 458.37 g/mol, XLogP of 3.89, 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-[4-chloro-3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-methylbutanamide is sourced from PubChem (CID 25479876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).