3-acetamido-3-phenyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide

C22H29N3O4S — CID 55466203

IUPAC3-acetamido-3-phenyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide
SMILESCC(=O)NC(CC(=O)NCc1ccc(CS(=O)(=O)NC(C)C)cc1)c1ccccc1
InChIInChI=1S/C22H29N3O4S/c1-16(2)25-30(28,29)15-19-11-9-18(10-12-19)14-23-22(27)13-21(24-17(3)26)20-7-5-4-6-8-20/h4-12,16,21,25H,13-15H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyGTJPLJVLYDEHEX-UHFFFAOYSA-N
MW431.56 g/mol
LogP2.40
Rot. Bonds10

About 3-acetamido-3-phenyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide

3-acetamido-3-phenyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide (PubChem CID 55466203) has the molecular formula C22H29N3O4S and a molecular weight of 431.56 g/mol. Its IUPAC name is 3-acetamido-3-phenyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-acetamido-3-phenyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide
PubChem CID55466203
Molecular FormulaC22H29N3O4S
Molecular Weight431.56 g/mol
Exact Mass431.19
IUPAC Name3-acetamido-3-phenyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide
SMILESCC(=O)NC(CC(=O)NCc1ccc(CS(=O)(=O)NC(C)C)cc1)c1ccccc1
InChIInChI=1S/C22H29N3O4S/c1-16(2)25-30(28,29)15-19-11-9-18(10-12-19)14-23-22(27)13-21(24-17(3)26)20-7-5-4-6-8-20/h4-12,16,21,25H,13-15H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyGTJPLJVLYDEHEX-UHFFFAOYSA-N
XLogP2.40
TPSA104.37 Ų
H-Bond Donors3
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 ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-acetamido-N-[(4-chlorophenyl)methyl]-3-phenylpropanamide
CID 40939423
(3S)-3-acetamido-N-[[4-(dimethylamino)phenyl]methyl]-3-phenylpropanamide
CID 9303942
N-[4-[[(3-acetamido-3-phenylpropanoyl)amino]methyl]phenyl]butanamide
CID 55781577
1-benzyl-2-methyl-3-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]guanidine
CID 110952456
(3R)-3-acetamido-3-phenyl-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 8752777
1-benzyl-2-methyl-3-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 110952455
(3S)-3-acetamido-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide
CID 9165289
3-acetamido-N-(4-hydroxy-2-methylpentyl)-3-phenylpropanamide
CID 111447233
3-acetamido-3-(4-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 134057816
3-acetamido-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-phenylpropanamide
CID 75462228
(3R)-3-acetamido-N-[[2-(diethylaminomethyl)phenyl]methyl]-3-phenylpropanamide
CID 9073272
(3S)-3-acetamido-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-phenylpropanamide
CID 95155438

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-3-phenyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide?
The IUPAC name of 3-acetamido-3-phenyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide (CID 55466203) is 3-acetamido-3-phenyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-acetamido-3-phenyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide?
The canonical SMILES for 3-acetamido-3-phenyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide is CC(=O)NC(CC(=O)NCc1ccc(CS(=O)(=O)NC(C)C)cc1)c1ccccc1.
What is the InChIKey of 3-acetamido-3-phenyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide?
The InChIKey is GTJPLJVLYDEHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4S/c1-16(2)25-30(28,29)15-19-11-9-18(10-12-19)14-23-22(27)13-21(24-17(3)26)20-7-5-4-6-8-20/h4-12,16,21,25H,13-15H2,1-3H3,(H,23,27)(H,24,26).
What are the key properties of 3-acetamido-3-phenyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide?
3-acetamido-3-phenyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide has a molecular weight of 431.56 g/mol, XLogP of 2.40, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-3-phenyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 55466203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).