2-[benzyl-[2-(N-methylsulfonylanilino)acetyl]amino]-N-propylpropanamide

C22H29N3O4S — CID 132669333

IUPAC2-[benzyl-[2-(N-methylsulfonylanilino)acetyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C22H29N3O4S/c1-4-15-23-22(27)18(2)24(16-19-11-7-5-8-12-19)21(26)17-25(30(3,28)29)20-13-9-6-10-14-20/h5-14,18H,4,15-17H2,1-3H3,(H,23,27)
InChIKeyYYAGORCHCGSDLC-UHFFFAOYSA-N
MW431.56 g/mol
LogP2.40
Rot. Bonds10

About 2-[benzyl-[2-(N-methylsulfonylanilino)acetyl]amino]-N-propylpropanamide

2-[benzyl-[2-(N-methylsulfonylanilino)acetyl]amino]-N-propylpropanamide (PubChem CID 132669333) has the molecular formula C22H29N3O4S and a molecular weight of 431.56 g/mol. Its IUPAC name is 2-[benzyl-[2-(N-methylsulfonylanilino)acetyl]amino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[benzyl-[2-(N-methylsulfonylanilino)acetyl]amino]-N-propylpropanamide
PubChem CID132669333
Molecular FormulaC22H29N3O4S
Molecular Weight431.56 g/mol
Exact Mass431.19
IUPAC Name2-[benzyl-[2-(N-methylsulfonylanilino)acetyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C22H29N3O4S/c1-4-15-23-22(27)18(2)24(16-19-11-7-5-8-12-19)21(26)17-25(30(3,28)29)20-13-9-6-10-14-20/h5-14,18H,4,15-17H2,1-3H3,(H,23,27)
InChIKeyYYAGORCHCGSDLC-UHFFFAOYSA-N
XLogP2.40
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl-[2-(N-methylsulfonylanilino)acetyl]amino]-N-butylpropanamide
CID 132715625
2-[benzyl-[2-(4-methoxy-N-methylsulfonylanilino)acetyl]amino]-N-propylpropanamide
CID 132676228
2-[benzyl-[2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetyl]amino]-N-propylpropanamide
CID 132685644
2-[[2-[N-(benzenesulfonyl)anilino]acetyl]-benzylamino]-N-propylpropanamide
CID 132678935
2-[benzyl-[2-(4-bromo-N-methylsulfonylanilino)acetyl]amino]-N-butylpropanamide
CID 132732348
2-[benzyl-[2-(2-bromo-N-methylsulfonylanilino)acetyl]amino]-N-propylpropanamide
CID 132681667
N-ethyl-2-[(3-methylphenyl)methyl-[2-(N-methylsulfonylanilino)acetyl]amino]propanamide
CID 132669376
2-[[2-(3-chloro-N-methylsulfonylanilino)acetyl]-[(3-chlorophenyl)methyl]amino]-N-propylpropanamide
CID 132619431
2-[(4-bromophenyl)methyl-[2-(4-ethyl-N-methylsulfonylanilino)acetyl]amino]-N-propylpropanamide
CID 132624981
(2S)-2-[[2-(4-iodo-N-methylsulfonylanilino)acetyl]-(2-phenylethyl)amino]-N-propylpropanamide
CID 100533077
2-[benzyl-[2-(4-iodo-N-methylsulfonylanilino)acetyl]amino]-N-(2-methylpropyl)propanamide
CID 132743819
2-[(4-fluorophenyl)methyl-[2-(N-methylsulfonylanilino)acetyl]amino]-N-(2-methylpropyl)propanamide
CID 132720560

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[2-(N-methylsulfonylanilino)acetyl]amino]-N-propylpropanamide?
The IUPAC name of 2-[benzyl-[2-(N-methylsulfonylanilino)acetyl]amino]-N-propylpropanamide (CID 132669333) is 2-[benzyl-[2-(N-methylsulfonylanilino)acetyl]amino]-N-propylpropanamide.
What is the SMILES notation for 2-[benzyl-[2-(N-methylsulfonylanilino)acetyl]amino]-N-propylpropanamide?
The canonical SMILES for 2-[benzyl-[2-(N-methylsulfonylanilino)acetyl]amino]-N-propylpropanamide is CCCNC(=O)C(C)N(Cc1ccccc1)C(=O)CN(c1ccccc1)S(C)(=O)=O.
What is the InChIKey of 2-[benzyl-[2-(N-methylsulfonylanilino)acetyl]amino]-N-propylpropanamide?
The InChIKey is YYAGORCHCGSDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4S/c1-4-15-23-22(27)18(2)24(16-19-11-7-5-8-12-19)21(26)17-25(30(3,28)29)20-13-9-6-10-14-20/h5-14,18H,4,15-17H2,1-3H3,(H,23,27).
What are the key properties of 2-[benzyl-[2-(N-methylsulfonylanilino)acetyl]amino]-N-propylpropanamide?
2-[benzyl-[2-(N-methylsulfonylanilino)acetyl]amino]-N-propylpropanamide has a molecular weight of 431.56 g/mol, XLogP of 2.40, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[2-(N-methylsulfonylanilino)acetyl]amino]-N-propylpropanamide is sourced from PubChem (CID 132669333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).