(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]propanamide

C24H31N3O4S — CID 31784566

IUPAC(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]propanamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)cc1
InChIInChI=1S/C24H31N3O4S/c1-16(2)20-7-5-19(6-8-20)15-27(22-11-12-22)24(29)17(3)26-32(30,31)23-13-9-21(10-14-23)25-18(4)28/h5-10,13-14,16-17,22,26H,11-12,15H2,1-4H3,(H,25,28)/t17-/m0/s1
InChIKeyYZGLNJNBZLSERF-KRWDZBQOSA-N
MW457.60 g/mol
LogP3.63
Rot. Bonds9

About (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]propanamide

(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]propanamide (PubChem CID 31784566) has the molecular formula C24H31N3O4S and a molecular weight of 457.60 g/mol. Its IUPAC name is (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]propanamide
PubChem CID31784566
Molecular FormulaC24H31N3O4S
Molecular Weight457.60 g/mol
Exact Mass457.20
IUPAC Name(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]propanamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)cc1
InChIInChI=1S/C24H31N3O4S/c1-16(2)20-7-5-19(6-8-20)15-27(22-11-12-22)24(29)17(3)26-32(30,31)23-13-9-21(10-14-23)25-18(4)28/h5-10,13-14,16-17,22,26H,11-12,15H2,1-4H3,(H,25,28)/t17-/m0/s1
InChIKeyYZGLNJNBZLSERF-KRWDZBQOSA-N
XLogP3.63
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.60
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[1-(4-propan-2-ylphenyl)ethylsulfamoyl]phenyl]acetamide
CID 22201175
(2R)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 9356865
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(4-ethylphenyl)propanamide
CID 24537281
N-cyclopropyl-3-[(4-methylphenyl)sulfonylamino]-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 9479145
2-[acetyl(cyclopropyl)amino]-N-(4-propan-2-ylphenyl)acetamide
CID 113158405
(2S)-2-amino-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]propanamide;hydrochloride
CID 119273120
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpropanamide
CID 55942772
2-[(4-acetamidophenyl)sulfonylamino]propanoic acid
CID 3393223
2-[2-[(4-acetamidophenyl)sulfonylamino]propanoyl-methylamino]propanoic acid
CID 119208731
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]-cyclopropyl-[(4-propan-2-ylphenyl)methyl]azanium
CID 8915654
2-[(4-fluorophenyl)sulfonylamino]-N-(4-propan-2-ylphenyl)propanamide
CID 4539824
3-(4-chlorophenyl)-1-cyclopropyl-1-[(4-propan-2-ylphenyl)methyl]thiourea
CID 9283855

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]propanamide?
The IUPAC name of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]propanamide (CID 31784566) is (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]propanamide.
What is the SMILES notation for (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]propanamide?
The canonical SMILES for (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]propanamide is CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)cc1.
What is the InChIKey of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]propanamide?
The InChIKey is YZGLNJNBZLSERF-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H31N3O4S/c1-16(2)20-7-5-19(6-8-20)15-27(22-11-12-22)24(29)17(3)26-32(30,31)23-13-9-21(10-14-23)25-18(4)28/h5-10,13-14,16-17,22,26H,11-12,15H2,1-4H3,(H,25,28)/t17-/m0/s1.
What are the key properties of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]propanamide?
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]propanamide has a molecular weight of 457.60 g/mol, XLogP of 3.63, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]propanamide is sourced from PubChem (CID 31784566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).