(3R)-3-acetamido-3-phenyl-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide

C20H25N3O4S — CID 8752777

IUPAC(3R)-3-acetamido-3-phenyl-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
SMILESCC(=O)N[C@H](CC(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1)c1ccccc1
InChIInChI=1S/C20H25N3O4S/c1-14(2)23-28(26,27)18-11-9-17(10-12-18)22-20(25)13-19(21-15(3)24)16-7-5-4-6-8-16/h4-12,14,19,23H,13H2,1-3H3,(H,21,24)(H,22,25)/t19-/m1/s1
InChIKeyLBQSYFTZUVFLRK-LJQANCHMSA-N
MW403.50 g/mol
LogP2.58
Rot. Bonds8

About (3R)-3-acetamido-3-phenyl-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide

(3R)-3-acetamido-3-phenyl-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide (PubChem CID 8752777) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is (3R)-3-acetamido-3-phenyl-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name(3R)-3-acetamido-3-phenyl-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
PubChem CID8752777
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Name(3R)-3-acetamido-3-phenyl-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
SMILESCC(=O)N[C@H](CC(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1)c1ccccc1
InChIInChI=1S/C20H25N3O4S/c1-14(2)23-28(26,27)18-11-9-17(10-12-18)22-20(25)13-19(21-15(3)24)16-7-5-4-6-8-16/h4-12,14,19,23H,13H2,1-3H3,(H,21,24)(H,22,25)/t19-/m1/s1
InChIKeyLBQSYFTZUVFLRK-LJQANCHMSA-N
XLogP2.58
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-acetamido-N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-3-phenylpropanamide
CID 40862928
(3R)-3-acetamido-3-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 2094762
(3R)-3-acetamido-3-phenyl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]propanamide
CID 26539334
(3R)-3-acetamido-N-(4-methylphenyl)-3-phenylpropanamide
CID 2664823
2,2-diphenyl-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 1263402
(3R)-3-acetamido-N-(4-methyl-3-sulfamoylphenyl)-3-phenylpropanamide
CID 9141022
(3S)-3-acetamido-N-(4-methyl-3-sulfamoylphenyl)-3-phenylpropanamide
CID 9141020
3-acetamido-3-(4-chlorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]propanamide
CID 55377378
3-[(4-bromophenyl)sulfonylamino]-N-(4-hydroxyphenyl)-3-phenylpropanamide
CID 50740454
N-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]acetamide
CID 730422
(3R)-3-acetamido-N-(3,4-dimethylphenyl)-3-phenylpropanamide
CID 8743897
3-acetamido-N-(3,4-dichlorophenyl)-3-phenylpropanamide
CID 24638755

Frequently Asked Questions

What is the IUPAC name of (3R)-3-acetamido-3-phenyl-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide?
The IUPAC name of (3R)-3-acetamido-3-phenyl-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide (CID 8752777) is (3R)-3-acetamido-3-phenyl-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for (3R)-3-acetamido-3-phenyl-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide?
The canonical SMILES for (3R)-3-acetamido-3-phenyl-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide is CC(=O)N[C@H](CC(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1)c1ccccc1.
What is the InChIKey of (3R)-3-acetamido-3-phenyl-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide?
The InChIKey is LBQSYFTZUVFLRK-LJQANCHMSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-14(2)23-28(26,27)18-11-9-17(10-12-18)22-20(25)13-19(21-15(3)24)16-7-5-4-6-8-16/h4-12,14,19,23H,13H2,1-3H3,(H,21,24)(H,22,25)/t19-/m1/s1.
What are the key properties of (3R)-3-acetamido-3-phenyl-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide?
(3R)-3-acetamido-3-phenyl-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide has a molecular weight of 403.50 g/mol, XLogP of 2.58, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-acetamido-3-phenyl-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 8752777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).