2-[2-[[5-[2-(methanesulfonamido)ethyl]thiophene-2-carbonyl]amino]phenyl]acetic acid

C16H18N2O5S2 — CID 119353163

IUPAC2-[2-[[5-[2-(methanesulfonamido)ethyl]thiophene-2-carbonyl]amino]phenyl]acetic acid
SMILESCS(=O)(=O)NCCc1ccc(C(=O)Nc2ccccc2CC(=O)O)s1
InChIInChI=1S/C16H18N2O5S2/c1-25(22,23)17-9-8-12-6-7-14(24-12)16(21)18-13-5-3-2-4-11(13)10-15(19)20/h2-7,17H,8-10H2,1H3,(H,18,21)(H,19,20)
InChIKeyYITCVYZPDOHPCQ-UHFFFAOYSA-N
MW382.46 g/mol
LogP1.72
Rot. Bonds8

About 2-[2-[[5-[2-(methanesulfonamido)ethyl]thiophene-2-carbonyl]amino]phenyl]acetic acid

2-[2-[[5-[2-(methanesulfonamido)ethyl]thiophene-2-carbonyl]amino]phenyl]acetic acid (PubChem CID 119353163) has the molecular formula C16H18N2O5S2 and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-[2-[[5-[2-(methanesulfonamido)ethyl]thiophene-2-carbonyl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[[5-[2-(methanesulfonamido)ethyl]thiophene-2-carbonyl]amino]phenyl]acetic acid
PubChem CID119353163
Molecular FormulaC16H18N2O5S2
Molecular Weight382.46 g/mol
Exact Mass382.07
IUPAC Name2-[2-[[5-[2-(methanesulfonamido)ethyl]thiophene-2-carbonyl]amino]phenyl]acetic acid
SMILESCS(=O)(=O)NCCc1ccc(C(=O)Nc2ccccc2CC(=O)O)s1
InChIInChI=1S/C16H18N2O5S2/c1-25(22,23)17-9-8-12-6-7-14(24-12)16(21)18-13-5-3-2-4-11(13)10-15(19)20/h2-7,17H,8-10H2,1H3,(H,18,21)(H,19,20)
InChIKeyYITCVYZPDOHPCQ-UHFFFAOYSA-N
XLogP1.72
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[2-[[5-[2-(methanesulfonamido)ethyl]thiophene-2-carbonyl]amino]phenyl]acetic acid with MolForge

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Related Compounds

5-[2-(methanesulfonamido)ethyl]-N-(4-phenoxyphenyl)thiophene-2-carboxamide
CID 27006016
N-(4-fluoro-2-methylphenyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide
CID 27286968
N-(2-fluoro-4-methylphenyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide
CID 17409937
N-(3,5-dimethylphenyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide
CID 27285772
N-[2-[5-[[(4-fluorobenzoyl)amino]carbamoyl]thiophen-2-yl]ethyl]methanesulfonamide
CID 46523672
5-ethyl-N-[2-(hydroxymethyl)phenyl]thiophene-2-carboxamide
CID 54960567
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide
CID 120883960
N-[6-(dimethylamino)-3-pyridinyl]-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide
CID 17489969
N-[2-(bromomethyl)phenyl]-5-ethylthiophene-2-carboxamide
CID 113274434
N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide
CID 46700188
5-[2-(methanesulfonamido)ethyl]-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]thiophene-2-carboxamide
CID 39446434
N-[2-[5-(4-phenylpiperazine-1-carbonyl)thiophen-2-yl]ethyl]methanesulfonamide
CID 27007642

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[5-[2-(methanesulfonamido)ethyl]thiophene-2-carbonyl]amino]phenyl]acetic acid?
The IUPAC name of 2-[2-[[5-[2-(methanesulfonamido)ethyl]thiophene-2-carbonyl]amino]phenyl]acetic acid (CID 119353163) is 2-[2-[[5-[2-(methanesulfonamido)ethyl]thiophene-2-carbonyl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[[5-[2-(methanesulfonamido)ethyl]thiophene-2-carbonyl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[2-[[5-[2-(methanesulfonamido)ethyl]thiophene-2-carbonyl]amino]phenyl]acetic acid is CS(=O)(=O)NCCc1ccc(C(=O)Nc2ccccc2CC(=O)O)s1.
What is the InChIKey of 2-[2-[[5-[2-(methanesulfonamido)ethyl]thiophene-2-carbonyl]amino]phenyl]acetic acid?
The InChIKey is YITCVYZPDOHPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5S2/c1-25(22,23)17-9-8-12-6-7-14(24-12)16(21)18-13-5-3-2-4-11(13)10-15(19)20/h2-7,17H,8-10H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 2-[2-[[5-[2-(methanesulfonamido)ethyl]thiophene-2-carbonyl]amino]phenyl]acetic acid?
2-[2-[[5-[2-(methanesulfonamido)ethyl]thiophene-2-carbonyl]amino]phenyl]acetic acid has a molecular weight of 382.46 g/mol, XLogP of 1.72, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[5-[2-(methanesulfonamido)ethyl]thiophene-2-carbonyl]amino]phenyl]acetic acid is sourced from PubChem (CID 119353163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).