N-[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methylphenyl]propanamide

C14H15ClN2O3S2 — CID 47062969

IUPACN-[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(C)c(NS(=O)(=O)c2ccc(Cl)s2)c1
InChIInChI=1S/C14H15ClN2O3S2/c1-3-13(18)16-10-5-4-9(2)11(8-10)17-22(19,20)14-7-6-12(15)21-14/h4-8,17H,3H2,1-2H3,(H,16,18)
InChIKeyMAGMDWRACKJOJQ-UHFFFAOYSA-N
MW358.87 g/mol
LogP3.86
Rot. Bonds5

About N-[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methylphenyl]propanamide

N-[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methylphenyl]propanamide (PubChem CID 47062969) has the molecular formula C14H15ClN2O3S2 and a molecular weight of 358.87 g/mol. Its IUPAC name is N-[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methylphenyl]propanamide.

Molecular Properties

Compound NameN-[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methylphenyl]propanamide
PubChem CID47062969
Molecular FormulaC14H15ClN2O3S2
Molecular Weight358.87 g/mol
Exact Mass358.02
IUPAC NameN-[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(C)c(NS(=O)(=O)c2ccc(Cl)s2)c1
InChIInChI=1S/C14H15ClN2O3S2/c1-3-13(18)16-10-5-4-9(2)11(8-10)17-22(19,20)14-7-6-12(15)21-14/h4-8,17H,3H2,1-2H3,(H,16,18)
InChIKeyMAGMDWRACKJOJQ-UHFFFAOYSA-N
XLogP3.86
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[1-(5-chlorothiophen-2-yl)ethylamino]-4-methylphenyl]propanamide
CID 43677288
2-chloro-N-[3-(methanesulfonamido)-4-methylphenyl]acetamide
CID 166404140
N-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-4-methylphenyl]propanamide
CID 55895903
5-chloro-N-[4-methyl-3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
CID 24580783
N-[3-[(2-bromoacetyl)amino]-4-methylphenyl]propanamide
CID 63680059
N-(4-bromo-3-methylphenyl)-5-chlorothiophene-2-sulfonamide
CID 22774672
5-chloro-N-(5-ethyl-2-hydroxyphenyl)thiophene-2-sulfonamide
CID 79209856
2-[(5-chlorothiophen-2-yl)sulfonylamino]-N-(4-methoxyphenyl)acetamide
CID 112998754
N-[3-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-4-methylphenyl]propanamide
CID 102831933
N-[3-[(4-chloro-2-fluorophenyl)sulfonylamino]-4-methylphenyl]acetamide
CID 47062928
N-[3-[(2-chlorophenyl)methylamino]-4-methylphenyl]propanamide
CID 43677249
N-(2-amino-4-methylphenyl)-5-chlorothiophene-2-sulfonamide
CID 43259125

Frequently Asked Questions

What is the IUPAC name of N-[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methylphenyl]propanamide?
The IUPAC name of N-[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methylphenyl]propanamide (CID 47062969) is N-[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methylphenyl]propanamide.
What is the SMILES notation for N-[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methylphenyl]propanamide?
The canonical SMILES for N-[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methylphenyl]propanamide is CCC(=O)Nc1ccc(C)c(NS(=O)(=O)c2ccc(Cl)s2)c1.
What is the InChIKey of N-[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methylphenyl]propanamide?
The InChIKey is MAGMDWRACKJOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3S2/c1-3-13(18)16-10-5-4-9(2)11(8-10)17-22(19,20)14-7-6-12(15)21-14/h4-8,17H,3H2,1-2H3,(H,16,18).
What are the key properties of N-[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methylphenyl]propanamide?
N-[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methylphenyl]propanamide has a molecular weight of 358.87 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methylphenyl]propanamide is sourced from PubChem (CID 47062969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).