N-(4-chloro-2-methoxy-5-methylphenyl)-3-(thiophen-2-ylsulfonylamino)propanamide

C15H17ClN2O4S2 — CID 36749120

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-3-(thiophen-2-ylsulfonylamino)propanamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CCNS(=O)(=O)c1cccs1
InChIInChI=1S/C15H17ClN2O4S2/c1-10-8-12(13(22-2)9-11(10)16)18-14(19)5-6-17-24(20,21)15-4-3-7-23-15/h3-4,7-9,17H,5-6H2,1-2H3,(H,18,19)
InChIKeyJEVPWGIOKPUHHN-UHFFFAOYSA-N
MW388.90 g/mol
LogP3.03
Rot. Bonds7

About N-(4-chloro-2-methoxy-5-methylphenyl)-3-(thiophen-2-ylsulfonylamino)propanamide

N-(4-chloro-2-methoxy-5-methylphenyl)-3-(thiophen-2-ylsulfonylamino)propanamide (PubChem CID 36749120) has the molecular formula C15H17ClN2O4S2 and a molecular weight of 388.90 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-3-(thiophen-2-ylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-3-(thiophen-2-ylsulfonylamino)propanamide
PubChem CID36749120
Molecular FormulaC15H17ClN2O4S2
Molecular Weight388.90 g/mol
Exact Mass388.03
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-3-(thiophen-2-ylsulfonylamino)propanamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CCNS(=O)(=O)c1cccs1
InChIInChI=1S/C15H17ClN2O4S2/c1-10-8-12(13(22-2)9-11(10)16)18-14(19)5-6-17-24(20,21)15-4-3-7-23-15/h3-4,7-9,17H,5-6H2,1-2H3,(H,18,19)
InChIKeyJEVPWGIOKPUHHN-UHFFFAOYSA-N
XLogP3.03
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-2-methoxy-5-methylphenyl)thiophene-2-sulfonamide
CID 8523500
N-[4-(4-chloro-2-methoxy-5-methylanilino)-4-oxobutyl]thiophene-2-carboxamide
CID 30951780
N-(4-chloro-2-methoxy-5-methylphenyl)-3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanamide
CID 9270924
N-(4-chlorophenyl)-3-(thiophen-2-ylsulfonylamino)propanamide
CID 4614958
N-(4-chloro-2-methoxy-5-methylphenyl)thiophene-2-carboxamide
CID 731690
N-(5-chloro-2-methylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide
CID 31973756
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide
CID 24680298
N-(4-chloro-2-methoxy-5-methylphenyl)-4-oxopentanamide
CID 60637672
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(2,5-dichloroanilino)propanamide
CID 109042672
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylpropanamide
CID 23099783
N-(4-chloro-2-methoxy-5-methylphenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide
CID 109025476
N-(4-chloro-2-methoxy-5-methylphenyl)-4-oxo-4-phenylbutanamide
CID 9397958

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-3-(thiophen-2-ylsulfonylamino)propanamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-3-(thiophen-2-ylsulfonylamino)propanamide (CID 36749120) is N-(4-chloro-2-methoxy-5-methylphenyl)-3-(thiophen-2-ylsulfonylamino)propanamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-3-(thiophen-2-ylsulfonylamino)propanamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-3-(thiophen-2-ylsulfonylamino)propanamide is COc1cc(Cl)c(C)cc1NC(=O)CCNS(=O)(=O)c1cccs1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-3-(thiophen-2-ylsulfonylamino)propanamide?
The InChIKey is JEVPWGIOKPUHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O4S2/c1-10-8-12(13(22-2)9-11(10)16)18-14(19)5-6-17-24(20,21)15-4-3-7-23-15/h3-4,7-9,17H,5-6H2,1-2H3,(H,18,19).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-3-(thiophen-2-ylsulfonylamino)propanamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(thiophen-2-ylsulfonylamino)propanamide has a molecular weight of 388.90 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-3-(thiophen-2-ylsulfonylamino)propanamide is sourced from PubChem (CID 36749120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).