N-[3-(2-aminoethylsulfamoyl)phenyl]-3-(5-chlorothiophen-2-yl)propanamide

C15H18ClN3O3S2 — CID 119465473

IUPACN-[3-(2-aminoethylsulfamoyl)phenyl]-3-(5-chlorothiophen-2-yl)propanamide
SMILESNCCNS(=O)(=O)c1cccc(NC(=O)CCc2ccc(Cl)s2)c1
InChIInChI=1S/C15H18ClN3O3S2/c16-14-6-4-12(23-14)5-7-15(20)19-11-2-1-3-13(10-11)24(21,22)18-9-8-17/h1-4,6,10,18H,5,7-9,17H2,(H,19,20)
InChIKeyUZWWPNXKERQRGZ-UHFFFAOYSA-N
MW387.91 g/mol
LogP2.21
Rot. Bonds8

About N-[3-(2-aminoethylsulfamoyl)phenyl]-3-(5-chlorothiophen-2-yl)propanamide

N-[3-(2-aminoethylsulfamoyl)phenyl]-3-(5-chlorothiophen-2-yl)propanamide (PubChem CID 119465473) has the molecular formula C15H18ClN3O3S2 and a molecular weight of 387.91 g/mol. Its IUPAC name is N-[3-(2-aminoethylsulfamoyl)phenyl]-3-(5-chlorothiophen-2-yl)propanamide.

Molecular Properties

Compound NameN-[3-(2-aminoethylsulfamoyl)phenyl]-3-(5-chlorothiophen-2-yl)propanamide
PubChem CID119465473
Molecular FormulaC15H18ClN3O3S2
Molecular Weight387.91 g/mol
Exact Mass387.05
IUPAC NameN-[3-(2-aminoethylsulfamoyl)phenyl]-3-(5-chlorothiophen-2-yl)propanamide
SMILESNCCNS(=O)(=O)c1cccc(NC(=O)CCc2ccc(Cl)s2)c1
InChIInChI=1S/C15H18ClN3O3S2/c16-14-6-4-12(23-14)5-7-15(20)19-11-2-1-3-13(10-11)24(21,22)18-9-8-17/h1-4,6,10,18H,5,7-9,17H2,(H,19,20)
InChIKeyUZWWPNXKERQRGZ-UHFFFAOYSA-N
XLogP2.21
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(2-aminoethylsulfamoyl)phenyl]-3-(4-chlorothiophen-2-yl)propanamide
CID 119465707
N-[3-(2-aminoethylsulfamoyl)phenyl]hex-5-enamide
CID 119465969
N-[3-(2-aminoethylsulfamoyl)phenyl]-4-(2,5-dimethylthiophen-3-yl)butanamide;hydrochloride
CID 119466086
N'-[3-(2-aminoethylsulfamoyl)phenyl]-N-ethylpentanediamide
CID 119465943
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-methoxyacetamide
CID 119465555
N-[3-(2-aminoethylsulfamoyl)phenyl]-3-cyclopentylpropanamide;hydrochloride
CID 119260164
N-[3-[3-(2-aminoethylsulfamoyl)anilino]-3-oxopropyl]furan-2-carboxamide
CID 119465293
N-[3-(2-aminoethylsulfamoyl)phenyl]-4-prop-2-enoxybutanamide
CID 119465611
N-[3-(2-aminoethylsulfamoyl)phenyl]-4-morpholin-4-yl-4-oxobutanamide;hydrochloride
CID 119465990
N-[3-(2-aminoethylsulfamoyl)phenyl]-3,4-dimethylpentanamide;hydrochloride
CID 119466058
N-[3-(2-aminoethylsulfamoyl)phenyl]-3-methylhexanamide;hydrochloride
CID 119465624
3-(5-chlorothiophen-2-yl)-N-[3-[(1-methylazepan-2-ylidene)amino]sulfonylphenyl]propanamide
CID 76867393

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethylsulfamoyl)phenyl]-3-(5-chlorothiophen-2-yl)propanamide?
The IUPAC name of N-[3-(2-aminoethylsulfamoyl)phenyl]-3-(5-chlorothiophen-2-yl)propanamide (CID 119465473) is N-[3-(2-aminoethylsulfamoyl)phenyl]-3-(5-chlorothiophen-2-yl)propanamide.
What is the SMILES notation for N-[3-(2-aminoethylsulfamoyl)phenyl]-3-(5-chlorothiophen-2-yl)propanamide?
The canonical SMILES for N-[3-(2-aminoethylsulfamoyl)phenyl]-3-(5-chlorothiophen-2-yl)propanamide is NCCNS(=O)(=O)c1cccc(NC(=O)CCc2ccc(Cl)s2)c1.
What is the InChIKey of N-[3-(2-aminoethylsulfamoyl)phenyl]-3-(5-chlorothiophen-2-yl)propanamide?
The InChIKey is UZWWPNXKERQRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O3S2/c16-14-6-4-12(23-14)5-7-15(20)19-11-2-1-3-13(10-11)24(21,22)18-9-8-17/h1-4,6,10,18H,5,7-9,17H2,(H,19,20).
What are the key properties of N-[3-(2-aminoethylsulfamoyl)phenyl]-3-(5-chlorothiophen-2-yl)propanamide?
N-[3-(2-aminoethylsulfamoyl)phenyl]-3-(5-chlorothiophen-2-yl)propanamide has a molecular weight of 387.91 g/mol, XLogP of 2.21, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoethylsulfamoyl)phenyl]-3-(5-chlorothiophen-2-yl)propanamide is sourced from PubChem (CID 119465473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).