N-[3-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]phenyl]cyclopropanecarboxamide

C17H18ClN3O4S2 — CID 46584820

IUPACN-[3-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]phenyl]cyclopropanecarboxamide
SMILESCN(CC(=O)Nc1cccc(NC(=O)C2CC2)c1)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C17H18ClN3O4S2/c1-21(27(24,25)16-8-7-14(18)26-16)10-15(22)19-12-3-2-4-13(9-12)20-17(23)11-5-6-11/h2-4,7-9,11H,5-6,10H2,1H3,(H,19,22)(H,20,23)
InChIKeyXIGMFYYCLSHCOY-UHFFFAOYSA-N
MW427.94 g/mol
LogP3.01
Rot. Bonds7

About N-[3-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]phenyl]cyclopropanecarboxamide

N-[3-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]phenyl]cyclopropanecarboxamide (PubChem CID 46584820) has the molecular formula C17H18ClN3O4S2 and a molecular weight of 427.94 g/mol. Its IUPAC name is N-[3-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]phenyl]cyclopropanecarboxamide
PubChem CID46584820
Molecular FormulaC17H18ClN3O4S2
Molecular Weight427.94 g/mol
Exact Mass427.04
IUPAC NameN-[3-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]phenyl]cyclopropanecarboxamide
SMILESCN(CC(=O)Nc1cccc(NC(=O)C2CC2)c1)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C17H18ClN3O4S2/c1-21(27(24,25)16-8-7-14(18)26-16)10-15(22)19-12-3-2-4-13(9-12)20-17(23)11-5-6-11/h2-4,7-9,11H,5-6,10H2,1H3,(H,19,22)(H,20,23)
InChIKeyXIGMFYYCLSHCOY-UHFFFAOYSA-N
XLogP3.01
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.94
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]phenyl]cyclopropanecarboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(3-chlorophenyl)-2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetamide
CID 9412118
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3-methylphenyl)acetamide
CID 9341591
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[4-(dimethylamino)phenyl]acetamide
CID 78776431
methyl 2-chloro-5-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]benzoate
CID 38238252
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(2,6-difluorophenyl)acetamide
CID 51158900
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
CID 55813723
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(dicyclopropylmethyl)acetamide
CID 30372779
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3-hydroxy-2-pyridinyl)acetamide
CID 30160286
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[4-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 55812298
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 99795349
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-prop-2-enylacetamide
CID 9442232
4-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]-N,3-dimethylbenzamide
CID 55705298

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]phenyl]cyclopropanecarboxamide (CID 46584820) is N-[3-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]phenyl]cyclopropanecarboxamide is CN(CC(=O)Nc1cccc(NC(=O)C2CC2)c1)S(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of N-[3-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]phenyl]cyclopropanecarboxamide?
The InChIKey is XIGMFYYCLSHCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O4S2/c1-21(27(24,25)16-8-7-14(18)26-16)10-15(22)19-12-3-2-4-13(9-12)20-17(23)11-5-6-11/h2-4,7-9,11H,5-6,10H2,1H3,(H,19,22)(H,20,23).
What are the key properties of N-[3-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]phenyl]cyclopropanecarboxamide?
N-[3-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]phenyl]cyclopropanecarboxamide has a molecular weight of 427.94 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 46584820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).