N-[1-(4-chlorophenyl)ethyl]-N-methyl-1,1-dioxothiolane-3-carboxamide

C14H18ClNO3S — CID 47160080

IUPACN-[1-(4-chlorophenyl)ethyl]-N-methyl-1,1-dioxothiolane-3-carboxamide
SMILESCC(c1ccc(Cl)cc1)N(C)C(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H18ClNO3S/c1-10(11-3-5-13(15)6-4-11)16(2)14(17)12-7-8-20(18,19)9-12/h3-6,10,12H,7-9H2,1-2H3
InChIKeyDZDYEGWUWGJKRN-UHFFFAOYSA-N
MW315.82 g/mol
LogP2.29
Rot. Bonds3

About N-[1-(4-chlorophenyl)ethyl]-N-methyl-1,1-dioxothiolane-3-carboxamide

N-[1-(4-chlorophenyl)ethyl]-N-methyl-1,1-dioxothiolane-3-carboxamide (PubChem CID 47160080) has the molecular formula C14H18ClNO3S and a molecular weight of 315.82 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-N-methyl-1,1-dioxothiolane-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-N-methyl-1,1-dioxothiolane-3-carboxamide
PubChem CID47160080
Molecular FormulaC14H18ClNO3S
Molecular Weight315.82 g/mol
Exact Mass315.07
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-N-methyl-1,1-dioxothiolane-3-carboxamide
SMILESCC(c1ccc(Cl)cc1)N(C)C(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H18ClNO3S/c1-10(11-3-5-13(15)6-4-11)16(2)14(17)12-7-8-20(18,19)9-12/h3-6,10,12H,7-9H2,1-2H3
InChIKeyDZDYEGWUWGJKRN-UHFFFAOYSA-N
XLogP2.29
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.82
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylcyclohexane-1-carboxamide
CID 60939297
3-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119717417
N-[1-(3,4-difluorophenyl)ethyl]-1-(1,1-dioxothiolan-3-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 42958193
N-(dicyclopropylmethyl)-N-methyl-1,1-dioxothiolane-3-carboxamide
CID 49343158
N-[1-(4-chlorophenyl)ethyl]-N,2-dimethylpyrrolidine-3-carboxamide
CID 79388766
N-[1-(4-bromophenyl)ethyl]-N-methylcyclopropanecarboxamide
CID 163259808
4-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylcyclopent-2-ene-1-carboxamide
CID 79210718
(3S)-1,1-dioxo-N-(4-propan-2-ylphenyl)thiolane-3-carboxamide
CID 51463150
N-[1-(4-chlorophenyl)ethyl]-N,3-dimethylbutanamide
CID 134003876
N-[1-(4-chlorophenyl)ethyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 42951798
2-(4-chlorophenyl)-1-(1,1-dioxothiolan-3-yl)ethanone
CID 64904345
(4-chlorophenyl) 1,1-dioxothiolane-3-carboxylate
CID 16566374

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-N-methyl-1,1-dioxothiolane-3-carboxamide?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-N-methyl-1,1-dioxothiolane-3-carboxamide (CID 47160080) is N-[1-(4-chlorophenyl)ethyl]-N-methyl-1,1-dioxothiolane-3-carboxamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-N-methyl-1,1-dioxothiolane-3-carboxamide?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-N-methyl-1,1-dioxothiolane-3-carboxamide is CC(c1ccc(Cl)cc1)N(C)C(=O)C1CCS(=O)(=O)C1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-N-methyl-1,1-dioxothiolane-3-carboxamide?
The InChIKey is DZDYEGWUWGJKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3S/c1-10(11-3-5-13(15)6-4-11)16(2)14(17)12-7-8-20(18,19)9-12/h3-6,10,12H,7-9H2,1-2H3.
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-N-methyl-1,1-dioxothiolane-3-carboxamide?
N-[1-(4-chlorophenyl)ethyl]-N-methyl-1,1-dioxothiolane-3-carboxamide has a molecular weight of 315.82 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-N-methyl-1,1-dioxothiolane-3-carboxamide is sourced from PubChem (CID 47160080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).