N-butyl-2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-ethylacetamide

C13H21ClN2O3S2 — CID 78783696

IUPACN-butyl-2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-ethylacetamide
SMILESCCCCN(CC)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C13H21ClN2O3S2/c1-4-6-9-16(5-2)12(17)10-15(3)21(18,19)13-8-7-11(14)20-13/h7-8H,4-6,9-10H2,1-3H3
InChIKeyRGYBMISKJFXZLM-UHFFFAOYSA-N
MW352.91 g/mol
LogP2.67
Rot. Bonds8

About N-butyl-2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-ethylacetamide

N-butyl-2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-ethylacetamide (PubChem CID 78783696) has the molecular formula C13H21ClN2O3S2 and a molecular weight of 352.91 g/mol. Its IUPAC name is N-butyl-2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-ethylacetamide.

Molecular Properties

Compound NameN-butyl-2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-ethylacetamide
PubChem CID78783696
Molecular FormulaC13H21ClN2O3S2
Molecular Weight352.91 g/mol
Exact Mass352.07
IUPAC NameN-butyl-2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-ethylacetamide
SMILESCCCCN(CC)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C13H21ClN2O3S2/c1-4-6-9-16(5-2)12(17)10-15(3)21(18,19)13-8-7-11(14)20-13/h7-8H,4-6,9-10H2,1-3H3
InChIKeyRGYBMISKJFXZLM-UHFFFAOYSA-N
XLogP2.67
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.91
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-ethylacetamide
CID 55372067
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide
CID 134059052
5-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]thiophene-2-carboxylic acid
CID 61028167
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethylacetamide
CID 55329846
N-(2-butylpyrazol-3-yl)-2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetamide
CID 86983067
N-butyl-4-(5-chlorothiophen-2-yl)-N-ethyl-4-oxobutanamide
CID 78785121
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-prop-2-enylacetamide
CID 9442232
N-(3-aminopropyl)-5-chloro-N-methylthiophene-2-sulfonamide
CID 96667362
N-(3-bromopropyl)-5-chloro-N-methylthiophene-2-sulfonamide
CID 106441802
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 78794244
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(1-hydroxypropan-2-yl)acetamide
CID 78857238
(2-chlorophenyl) 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetate
CID 18227111

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-ethylacetamide?
The IUPAC name of N-butyl-2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-ethylacetamide (CID 78783696) is N-butyl-2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-ethylacetamide.
What is the SMILES notation for N-butyl-2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-ethylacetamide?
The canonical SMILES for N-butyl-2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-ethylacetamide is CCCCN(CC)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of N-butyl-2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-ethylacetamide?
The InChIKey is RGYBMISKJFXZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O3S2/c1-4-6-9-16(5-2)12(17)10-15(3)21(18,19)13-8-7-11(14)20-13/h7-8H,4-6,9-10H2,1-3H3.
What are the key properties of N-butyl-2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-ethylacetamide?
N-butyl-2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-ethylacetamide has a molecular weight of 352.91 g/mol, XLogP of 2.67, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-ethylacetamide is sourced from PubChem (CID 78783696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).