4-[(3-cyclopropylphenyl)sulfonylamino]-4-phenylbutanoic acid

C19H21NO4S — CID 167970130

IUPAC4-[(3-cyclopropylphenyl)sulfonylamino]-4-phenylbutanoic acid
SMILESO=C(O)CCC(NS(=O)(=O)c1cccc(C2CC2)c1)c1ccccc1
InChIInChI=1S/C19H21NO4S/c21-19(22)12-11-18(15-5-2-1-3-6-15)20-25(23,24)17-8-4-7-16(13-17)14-9-10-14/h1-8,13-14,18,20H,9-12H2,(H,21,22)
InChIKeyVKDPWJOAVYKPJM-UHFFFAOYSA-N
MW359.45 g/mol
LogP3.45
Rot. Bonds8

About 4-[(3-cyclopropylphenyl)sulfonylamino]-4-phenylbutanoic acid

4-[(3-cyclopropylphenyl)sulfonylamino]-4-phenylbutanoic acid (PubChem CID 167970130) has the molecular formula C19H21NO4S and a molecular weight of 359.45 g/mol. Its IUPAC name is 4-[(3-cyclopropylphenyl)sulfonylamino]-4-phenylbutanoic acid.

Molecular Properties

Compound Name4-[(3-cyclopropylphenyl)sulfonylamino]-4-phenylbutanoic acid
PubChem CID167970130
Molecular FormulaC19H21NO4S
Molecular Weight359.45 g/mol
Exact Mass359.12
IUPAC Name4-[(3-cyclopropylphenyl)sulfonylamino]-4-phenylbutanoic acid
SMILESO=C(O)CCC(NS(=O)(=O)c1cccc(C2CC2)c1)c1ccccc1
InChIInChI=1S/C19H21NO4S/c21-19(22)12-11-18(15-5-2-1-3-6-15)20-25(23,24)17-8-4-7-16(13-17)14-9-10-14/h1-8,13-14,18,20H,9-12H2,(H,21,22)
InChIKeyVKDPWJOAVYKPJM-UHFFFAOYSA-N
XLogP3.45
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-cyclopropylphenyl)sulfonylamino]-3-pyridin-2-ylpropanoic acid
CID 166266133
4-(cyclopentylsulfonylamino)-4-phenylbutanoic acid
CID 105360745
4-phenyl-4-(1H-pyrrol-3-ylsulfonylamino)butanoic acid
CID 60827707
1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-disulfonamide
CID 101191621
(3-cyclopropylphenyl)sulfonyl-phenylmethanamine
CID 175011782
N-[3-[1-[3-[(4-fluorophenyl)sulfonylamino]-3-phenylpropyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22049081
4-amino-4-(3-cyclopentylphenyl)butanoic acid
CID 117371345
methyl 9-[(3-methylphenyl)sulfonylamino]-9-phenylnonanoate
CID 139616897
4-[[methyl(propan-2-yl)sulfamoyl]amino]-4-phenylbutanoic acid
CID 61455733
3-[(3-hydroxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 22602745
3-[(2-cyclopropylphenyl)sulfonylamino]-3-phenylpropanoic acid
CID 166273738
(3R)-3-(3-cyclopropylphenyl)-3-formamidopropanoic acid
CID 79984518

Frequently Asked Questions

What is the IUPAC name of 4-[(3-cyclopropylphenyl)sulfonylamino]-4-phenylbutanoic acid?
The IUPAC name of 4-[(3-cyclopropylphenyl)sulfonylamino]-4-phenylbutanoic acid (CID 167970130) is 4-[(3-cyclopropylphenyl)sulfonylamino]-4-phenylbutanoic acid.
What is the SMILES notation for 4-[(3-cyclopropylphenyl)sulfonylamino]-4-phenylbutanoic acid?
The canonical SMILES for 4-[(3-cyclopropylphenyl)sulfonylamino]-4-phenylbutanoic acid is O=C(O)CCC(NS(=O)(=O)c1cccc(C2CC2)c1)c1ccccc1.
What is the InChIKey of 4-[(3-cyclopropylphenyl)sulfonylamino]-4-phenylbutanoic acid?
The InChIKey is VKDPWJOAVYKPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4S/c21-19(22)12-11-18(15-5-2-1-3-6-15)20-25(23,24)17-8-4-7-16(13-17)14-9-10-14/h1-8,13-14,18,20H,9-12H2,(H,21,22).
What are the key properties of 4-[(3-cyclopropylphenyl)sulfonylamino]-4-phenylbutanoic acid?
4-[(3-cyclopropylphenyl)sulfonylamino]-4-phenylbutanoic acid has a molecular weight of 359.45 g/mol, XLogP of 3.45, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-cyclopropylphenyl)sulfonylamino]-4-phenylbutanoic acid is sourced from PubChem (CID 167970130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).