3-[(3-acetamido-4-methoxyphenyl)sulfonyl-benzylamino]propanamide

C19H23N3O5S — CID 24555959

IUPAC3-[(3-acetamido-4-methoxyphenyl)sulfonyl-benzylamino]propanamide
SMILESCOc1ccc(S(=O)(=O)N(CCC(N)=O)Cc2ccccc2)cc1NC(C)=O
InChIInChI=1S/C19H23N3O5S/c1-14(23)21-17-12-16(8-9-18(17)27-2)28(25,26)22(11-10-19(20)24)13-15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3,(H2,20,24)(H,21,23)
InChIKeyGEASUDYIURNZNB-UHFFFAOYSA-N
MW405.48 g/mol
LogP1.72
Rot. Bonds9

About 3-[(3-acetamido-4-methoxyphenyl)sulfonyl-benzylamino]propanamide

3-[(3-acetamido-4-methoxyphenyl)sulfonyl-benzylamino]propanamide (PubChem CID 24555959) has the molecular formula C19H23N3O5S and a molecular weight of 405.48 g/mol. Its IUPAC name is 3-[(3-acetamido-4-methoxyphenyl)sulfonyl-benzylamino]propanamide.

Molecular Properties

Compound Name3-[(3-acetamido-4-methoxyphenyl)sulfonyl-benzylamino]propanamide
PubChem CID24555959
Molecular FormulaC19H23N3O5S
Molecular Weight405.48 g/mol
Exact Mass405.14
IUPAC Name3-[(3-acetamido-4-methoxyphenyl)sulfonyl-benzylamino]propanamide
SMILESCOc1ccc(S(=O)(=O)N(CCC(N)=O)Cc2ccccc2)cc1NC(C)=O
InChIInChI=1S/C19H23N3O5S/c1-14(23)21-17-12-16(8-9-18(17)27-2)28(25,26)22(11-10-19(20)24)13-15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3,(H2,20,24)(H,21,23)
InChIKeyGEASUDYIURNZNB-UHFFFAOYSA-N
XLogP1.72
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[benzyl(hexadecyl)sulfamoyl]-2-methoxyphenyl]acetamide
CID 3629462
3-[(3-amino-4-methoxyphenyl)sulfonyl-(3-amino-3-oxopropyl)amino]propanamide
CID 163792004
N-[5-[(4-fluorophenyl)methyl-methylsulfamoyl]-2-methoxyphenyl]acetamide
CID 8797927
1-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(2-phenylethyl)thiourea
CID 7939337
N-(2-aminoethyl)-N-benzyl-4-methoxy-3-methylbenzenesulfonamide;hydrochloride
CID 120584192
methyl 3-[benzyl-(4-methoxyphenyl)sulfonylamino]propanoate
CID 22907062
3-[benzyl-[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 24555949
2-[benzyl-(4-bromophenyl)sulfonylamino]-N-(2,5-dimethoxyphenyl)acetamide
CID 1362081
2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-(2-phenylethyl)acetamide
CID 3117777
2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-(5-chloro-2-phenoxyphenyl)acetamide
CID 126390068
2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-naphthalen-1-ylacetamide
CID 1263278
2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-methyl-N-phenylacetamide
CID 100791349

Frequently Asked Questions

What is the IUPAC name of 3-[(3-acetamido-4-methoxyphenyl)sulfonyl-benzylamino]propanamide?
The IUPAC name of 3-[(3-acetamido-4-methoxyphenyl)sulfonyl-benzylamino]propanamide (CID 24555959) is 3-[(3-acetamido-4-methoxyphenyl)sulfonyl-benzylamino]propanamide.
What is the SMILES notation for 3-[(3-acetamido-4-methoxyphenyl)sulfonyl-benzylamino]propanamide?
The canonical SMILES for 3-[(3-acetamido-4-methoxyphenyl)sulfonyl-benzylamino]propanamide is COc1ccc(S(=O)(=O)N(CCC(N)=O)Cc2ccccc2)cc1NC(C)=O.
What is the InChIKey of 3-[(3-acetamido-4-methoxyphenyl)sulfonyl-benzylamino]propanamide?
The InChIKey is GEASUDYIURNZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5S/c1-14(23)21-17-12-16(8-9-18(17)27-2)28(25,26)22(11-10-19(20)24)13-15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3,(H2,20,24)(H,21,23).
What are the key properties of 3-[(3-acetamido-4-methoxyphenyl)sulfonyl-benzylamino]propanamide?
3-[(3-acetamido-4-methoxyphenyl)sulfonyl-benzylamino]propanamide has a molecular weight of 405.48 g/mol, XLogP of 1.72, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-acetamido-4-methoxyphenyl)sulfonyl-benzylamino]propanamide is sourced from PubChem (CID 24555959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).