1-[[5-(4-chlorophenyl)thiophen-2-yl]sulfonylamino]-2-[2-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]cyclopropane-1-carboxylic acid

C25H25ClN2O6S2 — CID 59692302

IUPAC1-[[5-(4-chlorophenyl)thiophen-2-yl]sulfonylamino]-2-[2-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]cyclopropane-1-carboxylic acid
SMILESCC(C)NC(=O)COc1ccccc1C1CC1(NS(=O)(=O)c1ccc(-c2ccc(Cl)cc2)s1)C(=O)O
InChIInChI=1S/C25H25ClN2O6S2/c1-15(2)27-22(29)14-34-20-6-4-3-5-18(20)19-13-25(19,24(30)31)28-36(32,33)23-12-11-21(35-23)16-7-9-17(26)10-8-16/h3-12,15,19,28H,13-14H2,1-2H3,(H,27,29)(H,30,31)
InChIKeyJMACOYSIKPLQGP-UHFFFAOYSA-N
MW549.07 g/mol
LogP4.26
Rot. Bonds10

About 1-[[5-(4-chlorophenyl)thiophen-2-yl]sulfonylamino]-2-[2-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]cyclopropane-1-carboxylic acid

1-[[5-(4-chlorophenyl)thiophen-2-yl]sulfonylamino]-2-[2-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]cyclopropane-1-carboxylic acid (PubChem CID 59692302) has the molecular formula C25H25ClN2O6S2 and a molecular weight of 549.07 g/mol. Its IUPAC name is 1-[[5-(4-chlorophenyl)thiophen-2-yl]sulfonylamino]-2-[2-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[5-(4-chlorophenyl)thiophen-2-yl]sulfonylamino]-2-[2-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]cyclopropane-1-carboxylic acid
PubChem CID59692302
Molecular FormulaC25H25ClN2O6S2
Molecular Weight549.07 g/mol
Exact Mass548.08
IUPAC Name1-[[5-(4-chlorophenyl)thiophen-2-yl]sulfonylamino]-2-[2-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]cyclopropane-1-carboxylic acid
SMILESCC(C)NC(=O)COc1ccccc1C1CC1(NS(=O)(=O)c1ccc(-c2ccc(Cl)cc2)s1)C(=O)O
InChIInChI=1S/C25H25ClN2O6S2/c1-15(2)27-22(29)14-34-20-6-4-3-5-18(20)19-13-25(19,24(30)31)28-36(32,33)23-12-11-21(35-23)16-7-9-17(26)10-8-16/h3-12,15,19,28H,13-14H2,1-2H3,(H,27,29)(H,30,31)
InChIKeyJMACOYSIKPLQGP-UHFFFAOYSA-N
XLogP4.26
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500549.07
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[[5-(4-chlorophenyl)thiophen-2-yl]sulfonylamino]-2-[2-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]cyclopropane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(4-chlorophenyl)thiophen-2-yl]sulfonylamino]-2-[2-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[5-(4-chlorophenyl)thiophen-2-yl]sulfonylamino]-2-[2-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]cyclopropane-1-carboxylic acid (CID 59692302) is 1-[[5-(4-chlorophenyl)thiophen-2-yl]sulfonylamino]-2-[2-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[5-(4-chlorophenyl)thiophen-2-yl]sulfonylamino]-2-[2-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[5-(4-chlorophenyl)thiophen-2-yl]sulfonylamino]-2-[2-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]cyclopropane-1-carboxylic acid is CC(C)NC(=O)COc1ccccc1C1CC1(NS(=O)(=O)c1ccc(-c2ccc(Cl)cc2)s1)C(=O)O.
What is the InChIKey of 1-[[5-(4-chlorophenyl)thiophen-2-yl]sulfonylamino]-2-[2-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]cyclopropane-1-carboxylic acid?
The InChIKey is JMACOYSIKPLQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN2O6S2/c1-15(2)27-22(29)14-34-20-6-4-3-5-18(20)19-13-25(19,24(30)31)28-36(32,33)23-12-11-21(35-23)16-7-9-17(26)10-8-16/h3-12,15,19,28H,13-14H2,1-2H3,(H,27,29)(H,30,31).
What are the key properties of 1-[[5-(4-chlorophenyl)thiophen-2-yl]sulfonylamino]-2-[2-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]cyclopropane-1-carboxylic acid?
1-[[5-(4-chlorophenyl)thiophen-2-yl]sulfonylamino]-2-[2-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]cyclopropane-1-carboxylic acid has a molecular weight of 549.07 g/mol, XLogP of 4.26, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(4-chlorophenyl)thiophen-2-yl]sulfonylamino]-2-[2-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 59692302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).