N-[2-[1-(methylamino)ethyl]phenyl]-1,1-dioxothiolane-3-carboxamide

C14H20N2O3S — CID 64911937

IUPACN-[2-[1-(methylamino)ethyl]phenyl]-1,1-dioxothiolane-3-carboxamide
SMILESCNC(C)c1ccccc1NC(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H20N2O3S/c1-10(15-2)12-5-3-4-6-13(12)16-14(17)11-7-8-20(18,19)9-11/h3-6,10-11,15H,7-9H2,1-2H3,(H,16,17)
InChIKeyHSFYPWDZSUPTQZ-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.34
Rot. Bonds4

About N-[2-[1-(methylamino)ethyl]phenyl]-1,1-dioxothiolane-3-carboxamide

N-[2-[1-(methylamino)ethyl]phenyl]-1,1-dioxothiolane-3-carboxamide (PubChem CID 64911937) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is N-[2-[1-(methylamino)ethyl]phenyl]-1,1-dioxothiolane-3-carboxamide.

Molecular Properties

Compound NameN-[2-[1-(methylamino)ethyl]phenyl]-1,1-dioxothiolane-3-carboxamide
PubChem CID64911937
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN-[2-[1-(methylamino)ethyl]phenyl]-1,1-dioxothiolane-3-carboxamide
SMILESCNC(C)c1ccccc1NC(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H20N2O3S/c1-10(15-2)12-5-3-4-6-13(12)16-14(17)11-7-8-20(18,19)9-11/h3-6,10-11,15H,7-9H2,1-2H3,(H,16,17)
InChIKeyHSFYPWDZSUPTQZ-UHFFFAOYSA-N
XLogP1.34
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[1-(methylamino)ethyl]phenyl]cyclobutanecarboxamide
CID 43507972
(3R)-N-(2-bromophenyl)-1,1-dioxothiolane-3-carboxamide
CID 94015109
(3S)-N-(2,3-dimethylphenyl)-1,1-dioxothiolane-3-carboxamide
CID 9069926
N-(2-cyanophenyl)-1,1-dioxothiolane-3-carboxamide
CID 60674718
(3S)-1,1-dioxo-N-(4-propan-2-ylphenyl)thiolane-3-carboxamide
CID 51463150
N-[2-(4-ethoxyphenoxy)phenyl]-1,1-dioxothiolane-3-carboxamide
CID 16566586
N-(3-acetamidophenyl)-1,1-dioxothiolane-3-carboxamide
CID 18089391
4-[(2-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63788003
(3S)-N-(3-methylphenyl)-1,1-dioxothiolane-3-carboxamide
CID 8871781
N-[3-(methylaminomethyl)phenyl]-1,1-dioxothiolane-3-carboxamide;hydrochloride
CID 119441093
2-methyl-N-[2-[1-(methylamino)ethyl]phenyl]butanamide
CID 43507938
4-N-propan-2-yl-1-N-(2-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide
CID 109144556

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(methylamino)ethyl]phenyl]-1,1-dioxothiolane-3-carboxamide?
The IUPAC name of N-[2-[1-(methylamino)ethyl]phenyl]-1,1-dioxothiolane-3-carboxamide (CID 64911937) is N-[2-[1-(methylamino)ethyl]phenyl]-1,1-dioxothiolane-3-carboxamide.
What is the SMILES notation for N-[2-[1-(methylamino)ethyl]phenyl]-1,1-dioxothiolane-3-carboxamide?
The canonical SMILES for N-[2-[1-(methylamino)ethyl]phenyl]-1,1-dioxothiolane-3-carboxamide is CNC(C)c1ccccc1NC(=O)C1CCS(=O)(=O)C1.
What is the InChIKey of N-[2-[1-(methylamino)ethyl]phenyl]-1,1-dioxothiolane-3-carboxamide?
The InChIKey is HSFYPWDZSUPTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-10(15-2)12-5-3-4-6-13(12)16-14(17)11-7-8-20(18,19)9-11/h3-6,10-11,15H,7-9H2,1-2H3,(H,16,17).
What are the key properties of N-[2-[1-(methylamino)ethyl]phenyl]-1,1-dioxothiolane-3-carboxamide?
N-[2-[1-(methylamino)ethyl]phenyl]-1,1-dioxothiolane-3-carboxamide has a molecular weight of 296.39 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(methylamino)ethyl]phenyl]-1,1-dioxothiolane-3-carboxamide is sourced from PubChem (CID 64911937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).