N-[(4-chlorophenyl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide

C14H15ClN2O3S2 — CID 7012503

IUPACN-[(4-chlorophenyl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESCN(CC(=O)NCc1ccc(Cl)cc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C14H15ClN2O3S2/c1-17(22(19,20)14-3-2-8-21-14)10-13(18)16-9-11-4-6-12(15)7-5-11/h2-8H,9-10H2,1H3,(H,16,18)
InChIKeySIQXPYOCMGHASU-UHFFFAOYSA-N
MW358.87 g/mol
LogP2.34
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide

N-[(4-chlorophenyl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide (PubChem CID 7012503) has the molecular formula C14H15ClN2O3S2 and a molecular weight of 358.87 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
PubChem CID7012503
Molecular FormulaC14H15ClN2O3S2
Molecular Weight358.87 g/mol
Exact Mass358.02
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESCN(CC(=O)NCc1ccc(Cl)cc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C14H15ClN2O3S2/c1-17(22(19,20)14-3-2-8-21-14)10-13(18)16-9-11-4-6-12(15)7-5-11/h2-8H,9-10H2,1H3,(H,16,18)
InChIKeySIQXPYOCMGHASU-UHFFFAOYSA-N
XLogP2.34
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl-(4-propan-2-ylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 2118296
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-methylthiophene-2-carboxamide
CID 2532766
3-[(4-chlorobenzyl)thio]-N-(thien-2-ylmethyl)propanamide
CID 5179108
N-[2-(4-chlorophenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 2078307
N-(2-chlorobenzyl)-1-(thiophen-2-ylsulfonyl)piperidine-4-carboxamide
CID 22427303
hydroxamate deriv. B33
CID 23645816
3-(4-chlorophenyl)-N-(2-thienylmethyl)acrylamide
CID 897764
N-(tert-Butylcarbamoyl-methyl)-N-thiophen-2-ylmethyl-2-(toluene-4-sulfonylamino)-acetamide
CID 3206927
N-[(2-Chlorophenyl)methyl]-2-(N-methylthiophene-2-sulfonamido)acetamide
CID 6619347
N-[(4-Methylphenyl)methyl]-4-(methylsulfanyl)-2-(thiophene-2-sulfonamido)butanamide
CID 9551096
N-benzyl-3-[(2-thienylsulfonyl)amino]propanamide
CID 9551483
N-[2-(benzenesulfonyl)-2-(thiophen-2-yl)ethyl]-N'-[(2-chlorophenyl)methyl]ethanediamide
CID 16032066

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide (CID 7012503) is N-[(4-chlorophenyl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide is CN(CC(=O)NCc1ccc(Cl)cc1)S(=O)(=O)c1cccs1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The InChIKey is SIQXPYOCMGHASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3S2/c1-17(22(19,20)14-3-2-8-21-14)10-13(18)16-9-11-4-6-12(15)7-5-11/h2-8H,9-10H2,1H3,(H,16,18).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
N-[(4-chlorophenyl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide has a molecular weight of 358.87 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide is sourced from PubChem (CID 7012503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).