N-(3-chlorophenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]cyclopropanecarboxamide

C14H14ClNO3S — CID 40505435

IUPACN-(3-chlorophenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]cyclopropanecarboxamide
SMILESO=C(C1CC1)N(c1cccc(Cl)c1)[C@@H]1C=CS(=O)(=O)C1
InChIInChI=1S/C14H14ClNO3S/c15-11-2-1-3-12(8-11)16(14(17)10-4-5-10)13-6-7-20(18,19)9-13/h1-3,6-8,10,13H,4-5,9H2/t13-/m1/s1
InChIKeyKKARZCBBGVPVDB-CYBMUJFWSA-N
MW311.79 g/mol
LogP2.39
Rot. Bonds3

About N-(3-chlorophenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]cyclopropanecarboxamide

N-(3-chlorophenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]cyclopropanecarboxamide (PubChem CID 40505435) has the molecular formula C14H14ClNO3S and a molecular weight of 311.79 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]cyclopropanecarboxamide
PubChem CID40505435
Molecular FormulaC14H14ClNO3S
Molecular Weight311.79 g/mol
Exact Mass311.04
IUPAC NameN-(3-chlorophenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]cyclopropanecarboxamide
SMILESO=C(C1CC1)N(c1cccc(Cl)c1)[C@@H]1C=CS(=O)(=O)C1
InChIInChI=1S/C14H14ClNO3S/c15-11-2-1-3-12(8-11)16(14(17)10-4-5-10)13-6-7-20(18,19)9-13/h1-3,6-8,10,13H,4-5,9H2/t13-/m1/s1
InChIKeyKKARZCBBGVPVDB-CYBMUJFWSA-N
XLogP2.39
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-(3-chlorophenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]cyclopropanecarboxamide (CID 40505435) is N-(3-chlorophenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-(3-chlorophenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]cyclopropanecarboxamide is O=C(C1CC1)N(c1cccc(Cl)c1)[C@@H]1C=CS(=O)(=O)C1.
What is the InChIKey of N-(3-chlorophenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]cyclopropanecarboxamide?
The InChIKey is KKARZCBBGVPVDB-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H14ClNO3S/c15-11-2-1-3-12(8-11)16(14(17)10-4-5-10)13-6-7-20(18,19)9-13/h1-3,6-8,10,13H,4-5,9H2/t13-/m1/s1.
What are the key properties of N-(3-chlorophenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]cyclopropanecarboxamide?
N-(3-chlorophenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]cyclopropanecarboxamide has a molecular weight of 311.79 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 40505435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).