(2S)-2-[(2-fluorophenyl)methyl-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]-N-methylpropanamide

C24H26FN3O4S — CID 100632065

IUPAC(2S)-2-[(2-fluorophenyl)methyl-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]-N-methylpropanamide
SMILESCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C24H26FN3O4S/c1-17(24(30)26-2)28(15-20-10-6-7-11-22(20)25)23(29)16-27(3)33(31,32)21-13-12-18-8-4-5-9-19(18)14-21/h4-14,17H,15-16H2,1-3H3,(H,26,30)/t17-/m0/s1
InChIKeyKHJHBAWYYUJBPV-KRWDZBQOSA-N
MW471.55 g/mol
LogP2.76
Rot. Bonds8

About (2S)-2-[(2-fluorophenyl)methyl-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]-N-methylpropanamide

(2S)-2-[(2-fluorophenyl)methyl-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]-N-methylpropanamide (PubChem CID 100632065) has the molecular formula C24H26FN3O4S and a molecular weight of 471.55 g/mol. Its IUPAC name is (2S)-2-[(2-fluorophenyl)methyl-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]-N-methylpropanamide.

Molecular Properties

Compound Name(2S)-2-[(2-fluorophenyl)methyl-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]-N-methylpropanamide
PubChem CID100632065
Molecular FormulaC24H26FN3O4S
Molecular Weight471.55 g/mol
Exact Mass471.16
IUPAC Name(2S)-2-[(2-fluorophenyl)methyl-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]-N-methylpropanamide
SMILESCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C24H26FN3O4S/c1-17(24(30)26-2)28(15-20-10-6-7-11-22(20)25)23(29)16-27(3)33(31,32)21-13-12-18-8-4-5-9-19(18)14-21/h4-14,17H,15-16H2,1-3H3,(H,26,30)/t17-/m0/s1
InChIKeyKHJHBAWYYUJBPV-KRWDZBQOSA-N
XLogP2.76
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.55
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[(2-fluorophenyl)methyl-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]-N-methylpropanamide 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

2-[benzyl-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]-N-methylpropanamide
CID 132675367
2-[(2,6-dichlorophenyl)methyl-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]-N-methylpropanamide
CID 132683410
(2R)-N-cyclopentyl-2-[(2-fluorophenyl)methyl-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]-3-phenylpropanamide
CID 125081842
(2R)-N-cyclohexyl-2-[(2-fluorophenyl)methyl-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]-3-phenylpropanamide
CID 125083032
N-methyl-2-[[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]-[(2-methylphenyl)methyl]amino]butanamide
CID 132677298
(2R)-2-[(2-fluorophenyl)methyl-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]-N-(2-methylpropyl)propanamide
CID 125085009
(2S)-2-[benzyl-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]-N-[(2R)-butan-2-yl]propanamide
CID 125084675
(2S)-2-[[2-(2-fluorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-N-methylpropanamide
CID 100633860
(2R)-2-[[2-(N-(4-chlorophenyl)sulfonylanilino)acetyl]-[(2-fluorophenyl)methyl]amino]-N-methylpropanamide
CID 100627687
N-benzyl-2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-propan-2-ylacetamide
CID 24609811
2-[(3-chlorophenyl)methyl-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]-N-propan-2-ylpropanamide
CID 133201453
2-[(3,4-dichlorophenyl)methyl-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]-N-propan-2-ylpropanamide
CID 132687923

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-fluorophenyl)methyl-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]-N-methylpropanamide?
The IUPAC name of (2S)-2-[(2-fluorophenyl)methyl-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]-N-methylpropanamide (CID 100632065) is (2S)-2-[(2-fluorophenyl)methyl-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]-N-methylpropanamide.
What is the SMILES notation for (2S)-2-[(2-fluorophenyl)methyl-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]-N-methylpropanamide?
The canonical SMILES for (2S)-2-[(2-fluorophenyl)methyl-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]-N-methylpropanamide is CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of (2S)-2-[(2-fluorophenyl)methyl-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]-N-methylpropanamide?
The InChIKey is KHJHBAWYYUJBPV-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H26FN3O4S/c1-17(24(30)26-2)28(15-20-10-6-7-11-22(20)25)23(29)16-27(3)33(31,32)21-13-12-18-8-4-5-9-19(18)14-21/h4-14,17H,15-16H2,1-3H3,(H,26,30)/t17-/m0/s1.
What are the key properties of (2S)-2-[(2-fluorophenyl)methyl-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]-N-methylpropanamide?
(2S)-2-[(2-fluorophenyl)methyl-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]-N-methylpropanamide has a molecular weight of 471.55 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-fluorophenyl)methyl-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]-N-methylpropanamide is sourced from PubChem (CID 100632065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).