N-(3-chlorophenyl)-2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]acetamide

C12H13ClN2O3S — CID 60693961

IUPACN-(3-chlorophenyl)-2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]acetamide
SMILESO=C(CNC1C=CS(=O)(=O)C1)Nc1cccc(Cl)c1
InChIInChI=1S/C12H13ClN2O3S/c13-9-2-1-3-10(6-9)15-12(16)7-14-11-4-5-19(17,18)8-11/h1-6,11,14H,7-8H2,(H,15,16)
InChIKeyFDKHVIDANKMCLT-UHFFFAOYSA-N
MW300.77 g/mol
LogP1.18
Rot. Bonds4

About N-(3-chlorophenyl)-2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]acetamide

N-(3-chlorophenyl)-2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]acetamide (PubChem CID 60693961) has the molecular formula C12H13ClN2O3S and a molecular weight of 300.77 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]acetamide
PubChem CID60693961
Molecular FormulaC12H13ClN2O3S
Molecular Weight300.77 g/mol
Exact Mass300.03
IUPAC NameN-(3-chlorophenyl)-2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]acetamide
SMILESO=C(CNC1C=CS(=O)(=O)C1)Nc1cccc(Cl)c1
InChIInChI=1S/C12H13ClN2O3S/c13-9-2-1-3-10(6-9)15-12(16)7-14-11-4-5-19(17,18)8-11/h1-6,11,14H,7-8H2,(H,15,16)
InChIKeyFDKHVIDANKMCLT-UHFFFAOYSA-N
XLogP1.18
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.77
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-N-(4-methylphenyl)acetamide
CID 60693984
(3S)-N-(3-chlorophenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
CID 7126529
N-(2,6-difluorophenyl)-2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]acetamide
CID 60693705
N-(3-chlorophenyl)-2-(cycloheptylamino)acetamide
CID 43236492
N-(3-chlorophenyl)-2-[(2-methyloxolan-3-yl)amino]acetamide
CID 82726082
2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-N-ethylacetamide
CID 60694028
N-[2-(3-chloroanilino)-2-oxoethyl]cyclobutanecarboxamide
CID 112997859
1-(3-aminophenyl)-3-(1,1-dioxo-2,3-dihydrothiophen-3-yl)urea
CID 102566887
N-(3-chlorophenyl)-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)acetamide
CID 62840323
N-[2-(3-chloroanilino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 26578694
N-(3-chlorophenyl)-2-[(2-oxopiperidin-3-yl)amino]acetamide
CID 62092325
N,N'-bis(3-chlorophenyl)pentanediamide
CID 1011389

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]acetamide (CID 60693961) is N-(3-chlorophenyl)-2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]acetamide is O=C(CNC1C=CS(=O)(=O)C1)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]acetamide?
The InChIKey is FDKHVIDANKMCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O3S/c13-9-2-1-3-10(6-9)15-12(16)7-14-11-4-5-19(17,18)8-11/h1-6,11,14H,7-8H2,(H,15,16).
What are the key properties of N-(3-chlorophenyl)-2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]acetamide?
N-(3-chlorophenyl)-2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]acetamide has a molecular weight of 300.77 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]acetamide is sourced from PubChem (CID 60693961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).