N-[(2-chlorophenyl)methyl]-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide

C16H19ClN2O3S2 — CID 6619079

IUPACN-[(2-chlorophenyl)methyl]-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
SMILESCC(C)C(NS(=O)(=O)c1cccs1)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C16H19ClN2O3S2/c1-11(2)15(19-24(21,22)14-8-5-9-23-14)16(20)18-10-12-6-3-4-7-13(12)17/h3-9,11,15,19H,10H2,1-2H3,(H,18,20)
InChIKeyLLZNCHRUWMVKQY-UHFFFAOYSA-N
MW386.93 g/mol
LogP3.02
Rot. Bonds7

About N-[(2-chlorophenyl)methyl]-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide

N-[(2-chlorophenyl)methyl]-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide (PubChem CID 6619079) has the molecular formula C16H19ClN2O3S2 and a molecular weight of 386.93 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
PubChem CID6619079
Molecular FormulaC16H19ClN2O3S2
Molecular Weight386.93 g/mol
Exact Mass386.05
IUPAC NameN-[(2-chlorophenyl)methyl]-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
SMILESCC(C)C(NS(=O)(=O)c1cccs1)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C16H19ClN2O3S2/c1-11(2)15(19-24(21,22)14-8-5-9-23-14)16(20)18-10-12-6-3-4-7-13(12)17/h3-9,11,15,19H,10H2,1-2H3,(H,18,20)
InChIKeyLLZNCHRUWMVKQY-UHFFFAOYSA-N
XLogP3.02
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.93
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-chlorophenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)propanamide
CID 4988112
N-[2-(4-chlorophenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 2078307
N~1~-benzyl-N~1~-methyl-N~2~-(thien-2-ylsulfonyl)valinamide
CID 6619218
N-[2-(2-chlorophenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 9551080
N-(2-chlorobenzyl)-1-(thiophen-2-ylsulfonyl)piperidine-4-carboxamide
CID 22427303
4-chloro-N-[(5-methylthiophen-2-yl)methyl]-N-[(3R)-2-oxoazepan-3-yl]benzenesulfonamide
CID 54580710
hydroxamate deriv. B33
CID 23645816
N-[(2-Chlorophenyl)methyl]-2-(N-methylthiophene-2-sulfonamido)acetamide
CID 6619347
N-[(4-chlorophenyl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 7012503
N-[(4-Methylphenyl)methyl]-4-(methylsulfanyl)-2-(thiophene-2-sulfonamido)butanamide
CID 9551096
N-(1,1-dimethylpropyl)-2-phenyl-2-[(thien-2-ylsulfonyl)amino]acetamide
CID 16031710
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-[(2-chlorophenyl)methyl]-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide (CID 6619079) is N-[(2-chlorophenyl)methyl]-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide is CC(C)C(NS(=O)(=O)c1cccs1)C(=O)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide?
The InChIKey is LLZNCHRUWMVKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O3S2/c1-11(2)15(19-24(21,22)14-8-5-9-23-14)16(20)18-10-12-6-3-4-7-13(12)17/h3-9,11,15,19H,10H2,1-2H3,(H,18,20).
What are the key properties of N-[(2-chlorophenyl)methyl]-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide?
N-[(2-chlorophenyl)methyl]-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide has a molecular weight of 386.93 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide is sourced from PubChem (CID 6619079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).