2-[propyl-[3-(thiophen-2-ylsulfonylamino)benzoyl]amino]acetic acid

C16H18N2O5S2 — CID 119205119

IUPAC2-[propyl-[3-(thiophen-2-ylsulfonylamino)benzoyl]amino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)c1cccc(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C16H18N2O5S2/c1-2-8-18(11-14(19)20)16(21)12-5-3-6-13(10-12)17-25(22,23)15-7-4-9-24-15/h3-7,9-10,17H,2,8,11H2,1H3,(H,19,20)
InChIKeyFMAJLCWRUJUWEM-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.49
Rot. Bonds8

About 2-[propyl-[3-(thiophen-2-ylsulfonylamino)benzoyl]amino]acetic acid

2-[propyl-[3-(thiophen-2-ylsulfonylamino)benzoyl]amino]acetic acid (PubChem CID 119205119) has the molecular formula C16H18N2O5S2 and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-[propyl-[3-(thiophen-2-ylsulfonylamino)benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[propyl-[3-(thiophen-2-ylsulfonylamino)benzoyl]amino]acetic acid
PubChem CID119205119
Molecular FormulaC16H18N2O5S2
Molecular Weight382.46 g/mol
Exact Mass382.07
IUPAC Name2-[propyl-[3-(thiophen-2-ylsulfonylamino)benzoyl]amino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)c1cccc(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C16H18N2O5S2/c1-2-8-18(11-14(19)20)16(21)12-5-3-6-13(10-12)17-25(22,23)15-7-4-9-24-15/h3-7,9-10,17H,2,8,11H2,1H3,(H,19,20)
InChIKeyFMAJLCWRUJUWEM-UHFFFAOYSA-N
XLogP2.49
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(benzenesulfonamido)-N,N-dipropylbenzamide
CID 30282516
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55790239
N-(1-aminopropan-2-yl)-N-methyl-3-(thiophen-2-ylsulfonylamino)benzamide
CID 119583489
N-pentyl-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55786585
N-benzyl-N-propan-2-yl-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55909095
N-propyl-N-pyrrolidin-3-yl-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride
CID 119531682
N-(2-phenylbutyl)-3-(thiophen-2-ylsulfonylamino)benzamide
CID 46489998
2-[[3-(dimethylamino)benzoyl]-propylamino]acetic acid
CID 61012479
N-methyl-3-(thiophen-2-ylsulfonylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 55787151
N-[2-(methylamino)propyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 120826976
N-[3-(methylamino)propyl]-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride
CID 119432119
N-[2-(3-fluorophenyl)ethyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55788608

Frequently Asked Questions

What is the IUPAC name of 2-[propyl-[3-(thiophen-2-ylsulfonylamino)benzoyl]amino]acetic acid?
The IUPAC name of 2-[propyl-[3-(thiophen-2-ylsulfonylamino)benzoyl]amino]acetic acid (CID 119205119) is 2-[propyl-[3-(thiophen-2-ylsulfonylamino)benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[propyl-[3-(thiophen-2-ylsulfonylamino)benzoyl]amino]acetic acid?
The canonical SMILES for 2-[propyl-[3-(thiophen-2-ylsulfonylamino)benzoyl]amino]acetic acid is CCCN(CC(=O)O)C(=O)c1cccc(NS(=O)(=O)c2cccs2)c1.
What is the InChIKey of 2-[propyl-[3-(thiophen-2-ylsulfonylamino)benzoyl]amino]acetic acid?
The InChIKey is FMAJLCWRUJUWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5S2/c1-2-8-18(11-14(19)20)16(21)12-5-3-6-13(10-12)17-25(22,23)15-7-4-9-24-15/h3-7,9-10,17H,2,8,11H2,1H3,(H,19,20).
What are the key properties of 2-[propyl-[3-(thiophen-2-ylsulfonylamino)benzoyl]amino]acetic acid?
2-[propyl-[3-(thiophen-2-ylsulfonylamino)benzoyl]amino]acetic acid has a molecular weight of 382.46 g/mol, XLogP of 2.49, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propyl-[3-(thiophen-2-ylsulfonylamino)benzoyl]amino]acetic acid is sourced from PubChem (CID 119205119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).