(3R)-3-acetamido-N-(4-methoxy-3-sulfamoylphenyl)-3-phenylpropanamide

C18H21N3O5S — CID 7999988

IUPAC(3R)-3-acetamido-N-(4-methoxy-3-sulfamoylphenyl)-3-phenylpropanamide
SMILESCOc1ccc(NC(=O)C[C@@H](NC(C)=O)c2ccccc2)cc1S(N)(=O)=O
InChIInChI=1S/C18H21N3O5S/c1-12(22)20-15(13-6-4-3-5-7-13)11-18(23)21-14-8-9-16(26-2)17(10-14)27(19,24)25/h3-10,15H,11H2,1-2H3,(H,20,22)(H,21,23)(H2,19,24,25)/t15-/m1/s1
InChIKeyBBLATMHZKAXHJO-OAHLLOKOSA-N
MW391.45 g/mol
LogP1.55
Rot. Bonds7

About (3R)-3-acetamido-N-(4-methoxy-3-sulfamoylphenyl)-3-phenylpropanamide

(3R)-3-acetamido-N-(4-methoxy-3-sulfamoylphenyl)-3-phenylpropanamide (PubChem CID 7999988) has the molecular formula C18H21N3O5S and a molecular weight of 391.45 g/mol. Its IUPAC name is (3R)-3-acetamido-N-(4-methoxy-3-sulfamoylphenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name(3R)-3-acetamido-N-(4-methoxy-3-sulfamoylphenyl)-3-phenylpropanamide
PubChem CID7999988
Molecular FormulaC18H21N3O5S
Molecular Weight391.45 g/mol
Exact Mass391.12
IUPAC Name(3R)-3-acetamido-N-(4-methoxy-3-sulfamoylphenyl)-3-phenylpropanamide
SMILESCOc1ccc(NC(=O)C[C@@H](NC(C)=O)c2ccccc2)cc1S(N)(=O)=O
InChIInChI=1S/C18H21N3O5S/c1-12(22)20-15(13-6-4-3-5-7-13)11-18(23)21-14-8-9-16(26-2)17(10-14)27(19,24)25/h3-10,15H,11H2,1-2H3,(H,20,22)(H,21,23)(H2,19,24,25)/t15-/m1/s1
InChIKeyBBLATMHZKAXHJO-OAHLLOKOSA-N
XLogP1.55
TPSA127.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-3-acetamido-N-(4-methyl-3-sulfamoylphenyl)-3-phenylpropanamide
CID 9141020
(3R)-3-acetamido-N-(4-methyl-3-sulfamoylphenyl)-3-phenylpropanamide
CID 9141022
(3R)-3-acetamido-N-(3,4-dimethylphenyl)-3-phenylpropanamide
CID 8743897
3-acetamido-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-3-phenylpropanamide
CID 55888374
3-acetamido-N-(3,4-dichlorophenyl)-3-phenylpropanamide
CID 24638755
(3S)-3-acetamido-N-(2-methoxyphenyl)-3-phenylpropanamide
CID 41075346
(3R)-3-acetamido-N-(4-methylphenyl)-3-phenylpropanamide
CID 2664823
(3R)-3-acetamido-N-(3-chloro-4-methylphenyl)-3-phenylpropanamide
CID 2665891
(3S)-3-acetamido-N-(3-methylphenyl)-3-phenylpropanamide
CID 8713924
N-[4-methoxy-3-[[(1R)-3-methyl-1-phenylbutyl]sulfamoyl]phenyl]acetamide
CID 9453359
ethyl 3-[(3-acetamido-3-phenylpropanoyl)amino]benzoate
CID 55394890
3-amino-N-(3-hydroxy-4-methoxyphenyl)-3-phenylpropanamide
CID 43710838

Frequently Asked Questions

What is the IUPAC name of (3R)-3-acetamido-N-(4-methoxy-3-sulfamoylphenyl)-3-phenylpropanamide?
The IUPAC name of (3R)-3-acetamido-N-(4-methoxy-3-sulfamoylphenyl)-3-phenylpropanamide (CID 7999988) is (3R)-3-acetamido-N-(4-methoxy-3-sulfamoylphenyl)-3-phenylpropanamide.
What is the SMILES notation for (3R)-3-acetamido-N-(4-methoxy-3-sulfamoylphenyl)-3-phenylpropanamide?
The canonical SMILES for (3R)-3-acetamido-N-(4-methoxy-3-sulfamoylphenyl)-3-phenylpropanamide is COc1ccc(NC(=O)C[C@@H](NC(C)=O)c2ccccc2)cc1S(N)(=O)=O.
What is the InChIKey of (3R)-3-acetamido-N-(4-methoxy-3-sulfamoylphenyl)-3-phenylpropanamide?
The InChIKey is BBLATMHZKAXHJO-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H21N3O5S/c1-12(22)20-15(13-6-4-3-5-7-13)11-18(23)21-14-8-9-16(26-2)17(10-14)27(19,24)25/h3-10,15H,11H2,1-2H3,(H,20,22)(H,21,23)(H2,19,24,25)/t15-/m1/s1.
What are the key properties of (3R)-3-acetamido-N-(4-methoxy-3-sulfamoylphenyl)-3-phenylpropanamide?
(3R)-3-acetamido-N-(4-methoxy-3-sulfamoylphenyl)-3-phenylpropanamide has a molecular weight of 391.45 g/mol, XLogP of 1.55, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-acetamido-N-(4-methoxy-3-sulfamoylphenyl)-3-phenylpropanamide is sourced from PubChem (CID 7999988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).