N-(4-chlorophenyl)-2-[(1,1-dioxothian-4-yl)amino]acetamide

C13H17ClN2O3S — CID 43615220

IUPACN-(4-chlorophenyl)-2-[(1,1-dioxothian-4-yl)amino]acetamide
SMILESO=C(CNC1CCS(=O)(=O)CC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN2O3S/c14-10-1-3-12(4-2-10)16-13(17)9-15-11-5-7-20(18,19)8-6-11/h1-4,11,15H,5-9H2,(H,16,17)
InChIKeySKAPDSFCMJDWDQ-UHFFFAOYSA-N
MW316.81 g/mol
LogP1.45
Rot. Bonds4

About N-(4-chlorophenyl)-2-[(1,1-dioxothian-4-yl)amino]acetamide

N-(4-chlorophenyl)-2-[(1,1-dioxothian-4-yl)amino]acetamide (PubChem CID 43615220) has the molecular formula C13H17ClN2O3S and a molecular weight of 316.81 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[(1,1-dioxothian-4-yl)amino]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[(1,1-dioxothian-4-yl)amino]acetamide
PubChem CID43615220
Molecular FormulaC13H17ClN2O3S
Molecular Weight316.81 g/mol
Exact Mass316.06
IUPAC NameN-(4-chlorophenyl)-2-[(1,1-dioxothian-4-yl)amino]acetamide
SMILESO=C(CNC1CCS(=O)(=O)CC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN2O3S/c14-10-1-3-12(4-2-10)16-13(17)9-15-11-5-7-20(18,19)8-6-11/h1-4,11,15H,5-9H2,(H,16,17)
InChIKeySKAPDSFCMJDWDQ-UHFFFAOYSA-N
XLogP1.45
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.81
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-2-(cyclohexylamino)acetamide
CID 788648
N-(4-chlorophenyl)-2-(1,1-dioxothian-4-yl)acetamide
CID 110858953
2-[(1,1-dioxothian-4-yl)amino]-N-(3-fluorophenyl)acetamide
CID 43615218
N-(3-chloro-4-methoxyphenyl)-2-[(1,1-dioxothiolan-3-yl)amino]acetamide
CID 109001681
2-(cyclopropylamino)-N-(3,5-dichlorophenyl)acetamide
CID 60647336
2-(cyclopropylamino)-N-(3,4-difluorophenyl)acetamide
CID 60647201
2-(cyclopentylamino)-N-(4-hydroxyphenyl)acetamide
CID 54918004
N-(4-chlorophenyl)-3-(cyclopentylamino)propanamide
CID 109013697
N-(4-chlorophenyl)-2-[[2-(hydroxymethyl)cyclopentyl]amino]acetamide
CID 106360931
N-(4-chlorophenyl)-2-[(2,3-dimethylcyclohexyl)amino]acetamide
CID 43078612
N-(4-chlorophenyl)-2-[(2,4-dimethylcyclohexyl)amino]acetamide
CID 63995689
N-(4-chlorophenyl)-2-[(1,3-dimethylpiperidin-4-yl)amino]acetamide
CID 115713823

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[(1,1-dioxothian-4-yl)amino]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[(1,1-dioxothian-4-yl)amino]acetamide (CID 43615220) is N-(4-chlorophenyl)-2-[(1,1-dioxothian-4-yl)amino]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[(1,1-dioxothian-4-yl)amino]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[(1,1-dioxothian-4-yl)amino]acetamide is O=C(CNC1CCS(=O)(=O)CC1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[(1,1-dioxothian-4-yl)amino]acetamide?
The InChIKey is SKAPDSFCMJDWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3S/c14-10-1-3-12(4-2-10)16-13(17)9-15-11-5-7-20(18,19)8-6-11/h1-4,11,15H,5-9H2,(H,16,17).
What are the key properties of N-(4-chlorophenyl)-2-[(1,1-dioxothian-4-yl)amino]acetamide?
N-(4-chlorophenyl)-2-[(1,1-dioxothian-4-yl)amino]acetamide has a molecular weight of 316.81 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[(1,1-dioxothian-4-yl)amino]acetamide is sourced from PubChem (CID 43615220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).