N-[(1R,6R)-6-carbamoylcyclohex-3-en-1-yl]-3-chlorothiophene-2-carboxamide

C12H13ClN2O2S — CID 122565327

IUPACN-[(1R,6R)-6-carbamoylcyclohex-3-en-1-yl]-3-chlorothiophene-2-carboxamide
SMILESNC(=O)[C@@H]1CC=CC[C@H]1NC(=O)c1sccc1Cl
InChIInChI=1S/C12H13ClN2O2S/c13-8-5-6-18-10(8)12(17)15-9-4-2-1-3-7(9)11(14)16/h1-2,5-7,9H,3-4H2,(H2,14,16)(H,15,17)/t7-,9-/m1/s1
InChIKeyVZJZARZILVZSCY-VXNVDRBHSA-N
MW284.77 g/mol
LogP1.95
Rot. Bonds3

About N-[(1R,6R)-6-carbamoylcyclohex-3-en-1-yl]-3-chlorothiophene-2-carboxamide

N-[(1R,6R)-6-carbamoylcyclohex-3-en-1-yl]-3-chlorothiophene-2-carboxamide (PubChem CID 122565327) has the molecular formula C12H13ClN2O2S and a molecular weight of 284.77 g/mol. Its IUPAC name is N-[(1R,6R)-6-carbamoylcyclohex-3-en-1-yl]-3-chlorothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,6R)-6-carbamoylcyclohex-3-en-1-yl]-3-chlorothiophene-2-carboxamide
PubChem CID122565327
Molecular FormulaC12H13ClN2O2S
Molecular Weight284.77 g/mol
Exact Mass284.04
IUPAC NameN-[(1R,6R)-6-carbamoylcyclohex-3-en-1-yl]-3-chlorothiophene-2-carboxamide
SMILESNC(=O)[C@@H]1CC=CC[C@H]1NC(=O)c1sccc1Cl
InChIInChI=1S/C12H13ClN2O2S/c13-8-5-6-18-10(8)12(17)15-9-4-2-1-3-7(9)11(14)16/h1-2,5-7,9H,3-4H2,(H2,14,16)(H,15,17)/t7-,9-/m1/s1
InChIKeyVZJZARZILVZSCY-VXNVDRBHSA-N
XLogP1.95
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.77
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[2-[(E)-N'-hydroxycarbamimidoyl]cyclopentyl]thiophene-2-carboxamide
CID 80642399
3-chloro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]thiophene-2-carboxamide
CID 122571729
3-chloro-N-[2-(hydroxymethyl)cyclopentyl]thiophene-2-carboxamide
CID 106364449
3-chloro-N-[2-(chloromethyl)cyclohexyl]thiophene-2-carboxamide
CID 106366820
4-[(3-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 80644088
N-carbamoyl-3-chlorothiophene-2-carboxamide
CID 80642165
N-[(1R,6R)-6-carbamoylcyclohex-3-en-1-yl]-2-chloro-6-fluoro-3-methylbenzamide
CID 131934064
3-chloro-N-[(3R,4R)-3-hydroxypiperidin-4-yl]thiophene-2-carboxamide;hydrochloride
CID 154907992
N-[(1R,6R)-6-carbamoylcyclohex-3-en-1-yl]-1-methylpyrrole-2-carboxamide
CID 131924189
N-[1-[(2E)-2-amino-2-hydroxyiminoethyl]piperidin-4-yl]-3-chlorothiophene-2-carboxamide
CID 80641295
3-chloro-N-cyclopentyloxythiophene-2-carboxamide
CID 83235964
N-[(1R,6R)-6-carbamoylcyclohex-3-en-1-yl]-1-benzoxepine-4-carboxamide
CID 131914780

Frequently Asked Questions

What is the IUPAC name of N-[(1R,6R)-6-carbamoylcyclohex-3-en-1-yl]-3-chlorothiophene-2-carboxamide?
The IUPAC name of N-[(1R,6R)-6-carbamoylcyclohex-3-en-1-yl]-3-chlorothiophene-2-carboxamide (CID 122565327) is N-[(1R,6R)-6-carbamoylcyclohex-3-en-1-yl]-3-chlorothiophene-2-carboxamide.
What is the SMILES notation for N-[(1R,6R)-6-carbamoylcyclohex-3-en-1-yl]-3-chlorothiophene-2-carboxamide?
The canonical SMILES for N-[(1R,6R)-6-carbamoylcyclohex-3-en-1-yl]-3-chlorothiophene-2-carboxamide is NC(=O)[C@@H]1CC=CC[C@H]1NC(=O)c1sccc1Cl.
What is the InChIKey of N-[(1R,6R)-6-carbamoylcyclohex-3-en-1-yl]-3-chlorothiophene-2-carboxamide?
The InChIKey is VZJZARZILVZSCY-VXNVDRBHSA-N. The full InChI is InChI=1S/C12H13ClN2O2S/c13-8-5-6-18-10(8)12(17)15-9-4-2-1-3-7(9)11(14)16/h1-2,5-7,9H,3-4H2,(H2,14,16)(H,15,17)/t7-,9-/m1/s1.
What are the key properties of N-[(1R,6R)-6-carbamoylcyclohex-3-en-1-yl]-3-chlorothiophene-2-carboxamide?
N-[(1R,6R)-6-carbamoylcyclohex-3-en-1-yl]-3-chlorothiophene-2-carboxamide has a molecular weight of 284.77 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,6R)-6-carbamoylcyclohex-3-en-1-yl]-3-chlorothiophene-2-carboxamide is sourced from PubChem (CID 122565327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).