(3S)-3-[(4-acetamidophenyl)sulfonylamino]-3-(4-methylphenyl)propanoate

C18H19N2O5S- — CID 2459105

IUPAC(3S)-3-[(4-acetamidophenyl)sulfonylamino]-3-(4-methylphenyl)propanoate
SMILESCC(=O)Nc1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])c2ccc(C)cc2)cc1
InChIInChI=1S/C18H20N2O5S/c1-12-3-5-14(6-4-12)17(11-18(22)23)20-26(24,25)16-9-7-15(8-10-16)19-13(2)21/h3-10,17,20H,11H2,1-2H3,(H,19,21)(H,22,23)/p-1/t17-/m0/s1
InChIKeyKBKXMWHBAQHVLQ-KRWDZBQOSA-M
MW375.43 g/mol
LogP1.11
Rot. Bonds7

About (3S)-3-[(4-acetamidophenyl)sulfonylamino]-3-(4-methylphenyl)propanoate

(3S)-3-[(4-acetamidophenyl)sulfonylamino]-3-(4-methylphenyl)propanoate (PubChem CID 2459105) has the molecular formula C18H19N2O5S- and a molecular weight of 375.43 g/mol. Its IUPAC name is (3S)-3-[(4-acetamidophenyl)sulfonylamino]-3-(4-methylphenyl)propanoate.

Molecular Properties

Compound Name(3S)-3-[(4-acetamidophenyl)sulfonylamino]-3-(4-methylphenyl)propanoate
PubChem CID2459105
Molecular FormulaC18H19N2O5S-
Molecular Weight375.43 g/mol
Exact Mass375.10
IUPAC Name(3S)-3-[(4-acetamidophenyl)sulfonylamino]-3-(4-methylphenyl)propanoate
SMILESCC(=O)Nc1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])c2ccc(C)cc2)cc1
InChIInChI=1S/C18H20N2O5S/c1-12-3-5-14(6-4-12)17(11-18(22)23)20-26(24,25)16-9-7-15(8-10-16)19-13(2)21/h3-10,17,20H,11H2,1-2H3,(H,19,21)(H,22,23)/p-1/t17-/m0/s1
InChIKeyKBKXMWHBAQHVLQ-KRWDZBQOSA-M
XLogP1.11
TPSA115.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[1-(4-methylphenyl)propylsulfamoyl]phenyl]acetamide
CID 22201131
3-(4-ethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate
CID 3788458
N-[4-[[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]sulfamoyl]phenyl]acetamide
CID 8844418
N-[4-[[(4-methylphenyl)-phenylmethyl]sulfamoyl]phenyl]acetamide
CID 78686932
ethyl 3-(4-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate
CID 4013982
N-(4-acetamidophenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 5125131
3-[(4-acetamidophenyl)sulfonylamino]-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 3237642
(3R)-3-[(4-acetamidophenyl)sulfonylamino]-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 1262069
(3S)-3-(4-methylphenyl)-3-(thiophen-2-ylsulfonylamino)propanoate
CID 8831032
(3R)-3-[(4-acetamidophenyl)sulfonylamino]-3-(4-propoxyphenyl)propanoic acid
CID 7044809
(3R)-3-[[4-[(2R)-butan-2-yl]phenyl]sulfonylamino]-3-phenylpropanoate
CID 6972924
N-[4-[[(2R)-1-hydroxypropan-2-yl]sulfamoyl]phenyl]acetamide
CID 39086802

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(4-acetamidophenyl)sulfonylamino]-3-(4-methylphenyl)propanoate?
The IUPAC name of (3S)-3-[(4-acetamidophenyl)sulfonylamino]-3-(4-methylphenyl)propanoate (CID 2459105) is (3S)-3-[(4-acetamidophenyl)sulfonylamino]-3-(4-methylphenyl)propanoate.
What is the SMILES notation for (3S)-3-[(4-acetamidophenyl)sulfonylamino]-3-(4-methylphenyl)propanoate?
The canonical SMILES for (3S)-3-[(4-acetamidophenyl)sulfonylamino]-3-(4-methylphenyl)propanoate is CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])c2ccc(C)cc2)cc1.
What is the InChIKey of (3S)-3-[(4-acetamidophenyl)sulfonylamino]-3-(4-methylphenyl)propanoate?
The InChIKey is KBKXMWHBAQHVLQ-KRWDZBQOSA-M. The full InChI is InChI=1S/C18H20N2O5S/c1-12-3-5-14(6-4-12)17(11-18(22)23)20-26(24,25)16-9-7-15(8-10-16)19-13(2)21/h3-10,17,20H,11H2,1-2H3,(H,19,21)(H,22,23)/p-1/t17-/m0/s1.
What are the key properties of (3S)-3-[(4-acetamidophenyl)sulfonylamino]-3-(4-methylphenyl)propanoate?
(3S)-3-[(4-acetamidophenyl)sulfonylamino]-3-(4-methylphenyl)propanoate has a molecular weight of 375.43 g/mol, XLogP of 1.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(4-acetamidophenyl)sulfonylamino]-3-(4-methylphenyl)propanoate is sourced from PubChem (CID 2459105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).