4-(5-chlorothiophene-2-carbonyl)-N-cyclohexyl-1,4-diazepane-1-carboxamide

C17H24ClN3O2S — CID 110813448

IUPAC4-(5-chlorothiophene-2-carbonyl)-N-cyclohexyl-1,4-diazepane-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCCN(C(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C17H24ClN3O2S/c18-15-8-7-14(24-15)16(22)20-9-4-10-21(12-11-20)17(23)19-13-5-2-1-3-6-13/h7-8,13H,1-6,9-12H2,(H,19,23)
InChIKeyUOQFJCCPIKWCNM-UHFFFAOYSA-N
MW369.92 g/mol
LogP3.59
Rot. Bonds2

About 4-(5-chlorothiophene-2-carbonyl)-N-cyclohexyl-1,4-diazepane-1-carboxamide

4-(5-chlorothiophene-2-carbonyl)-N-cyclohexyl-1,4-diazepane-1-carboxamide (PubChem CID 110813448) has the molecular formula C17H24ClN3O2S and a molecular weight of 369.92 g/mol. Its IUPAC name is 4-(5-chlorothiophene-2-carbonyl)-N-cyclohexyl-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound Name4-(5-chlorothiophene-2-carbonyl)-N-cyclohexyl-1,4-diazepane-1-carboxamide
PubChem CID110813448
Molecular FormulaC17H24ClN3O2S
Molecular Weight369.92 g/mol
Exact Mass369.13
IUPAC Name4-(5-chlorothiophene-2-carbonyl)-N-cyclohexyl-1,4-diazepane-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCCN(C(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C17H24ClN3O2S/c18-15-8-7-14(24-15)16(22)20-9-4-10-21(12-11-20)17(23)19-13-5-2-1-3-6-13/h7-8,13H,1-6,9-12H2,(H,19,23)
InChIKeyUOQFJCCPIKWCNM-UHFFFAOYSA-N
XLogP3.59
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.92
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-chlorothiophene-2-carbonyl)-N-cyclopentyl-1,4-diazepane-1-carboxamide
CID 110813453
4-[2-(5-chlorothiophen-2-yl)acetyl]-N-cyclopentyl-1,4-diazepane-1-carboxamide
CID 110813840
(5-chlorothiophen-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119563647
N-cyclopropyl-4-(thiophene-2-carbonyl)-1,4-diazepane-1-carboxamide
CID 71931543
1-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 110696424
(4-aminopiperidin-1-yl)-(5-chlorothiophen-2-yl)methanone
CID 62276124
N-cycloheptylpiperidine-1-carboxamide
CID 54054704
5-chloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]thiophene-2-carboxamide
CID 55690906
4-(2-chlorophenyl)-N-cyclopentylpiperazine-1-carboxamide
CID 17412310
N-cyclopentyl-4-(2-methylbenzoyl)-1,4-diazepane-1-carboxamide
CID 110811448
N-cyclohexyl-4-(2-methylpyrazole-3-carbonyl)-1,4-diazepane-1-carboxamide
CID 138380460
N-cyclohexyl-4-(2,6-difluorobenzoyl)piperazine-1-carboxamide
CID 47784765

Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorothiophene-2-carbonyl)-N-cyclohexyl-1,4-diazepane-1-carboxamide?
The IUPAC name of 4-(5-chlorothiophene-2-carbonyl)-N-cyclohexyl-1,4-diazepane-1-carboxamide (CID 110813448) is 4-(5-chlorothiophene-2-carbonyl)-N-cyclohexyl-1,4-diazepane-1-carboxamide.
What is the SMILES notation for 4-(5-chlorothiophene-2-carbonyl)-N-cyclohexyl-1,4-diazepane-1-carboxamide?
The canonical SMILES for 4-(5-chlorothiophene-2-carbonyl)-N-cyclohexyl-1,4-diazepane-1-carboxamide is O=C(NC1CCCCC1)N1CCCN(C(=O)c2ccc(Cl)s2)CC1.
What is the InChIKey of 4-(5-chlorothiophene-2-carbonyl)-N-cyclohexyl-1,4-diazepane-1-carboxamide?
The InChIKey is UOQFJCCPIKWCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O2S/c18-15-8-7-14(24-15)16(22)20-9-4-10-21(12-11-20)17(23)19-13-5-2-1-3-6-13/h7-8,13H,1-6,9-12H2,(H,19,23).
What are the key properties of 4-(5-chlorothiophene-2-carbonyl)-N-cyclohexyl-1,4-diazepane-1-carboxamide?
4-(5-chlorothiophene-2-carbonyl)-N-cyclohexyl-1,4-diazepane-1-carboxamide has a molecular weight of 369.92 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorothiophene-2-carbonyl)-N-cyclohexyl-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 110813448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).