N-(azepan-4-yl)-5-chlorothiophene-2-carboxamide

C11H15ClN2OS — CID 105058867

IUPACN-(azepan-4-yl)-5-chlorothiophene-2-carboxamide
SMILESO=C(NC1CCCNCC1)c1ccc(Cl)s1
InChIInChI=1S/C11H15ClN2OS/c12-10-4-3-9(16-10)11(15)14-8-2-1-6-13-7-5-8/h3-4,8,13H,1-2,5-7H2,(H,14,15)
InChIKeyNIOIRKMRWDBBNB-UHFFFAOYSA-N
MW258.77 g/mol
LogP2.27
Rot. Bonds2

About N-(azepan-4-yl)-5-chlorothiophene-2-carboxamide

N-(azepan-4-yl)-5-chlorothiophene-2-carboxamide (PubChem CID 105058867) has the molecular formula C11H15ClN2OS and a molecular weight of 258.77 g/mol. Its IUPAC name is N-(azepan-4-yl)-5-chlorothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(azepan-4-yl)-5-chlorothiophene-2-carboxamide
PubChem CID105058867
Molecular FormulaC11H15ClN2OS
Molecular Weight258.77 g/mol
Exact Mass258.06
IUPAC NameN-(azepan-4-yl)-5-chlorothiophene-2-carboxamide
SMILESO=C(NC1CCCNCC1)c1ccc(Cl)s1
InChIInChI=1S/C11H15ClN2OS/c12-10-4-3-9(16-10)11(15)14-8-2-1-6-13-7-5-8/h3-4,8,13H,1-2,5-7H2,(H,14,15)
InChIKeyNIOIRKMRWDBBNB-UHFFFAOYSA-N
XLogP2.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.77
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[4-(methylamino)cyclohexyl]thiophene-2-carboxamide
CID 79110894
N-(5-azaspiro[3.5]nonan-8-yl)-5-chlorothiophene-2-carboxamide
CID 62276505
5-chloro-N-[(3R)-2-oxopiperidin-3-yl]thiophene-2-carboxamide
CID 95048356
5-(4-chlorophenyl)-N-piperidin-3-ylthiophene-2-carboxamide
CID 119426767
5-chloro-N-(2-methylpiperidin-3-yl)thiophene-2-carboxamide
CID 114695049
5-chloro-N-[(R)-cyclopropyl(piperidin-4-yl)methyl]thiophene-2-carboxamide
CID 137372787
N-[(4S)-azepan-4-yl]benzamide
CID 146196053
N-(azepan-4-yl)-2,4-dichlorobenzamide
CID 105058883
5-chloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]thiophene-2-carboxamide
CID 55690906
N-(azepan-4-yl)-2,6-dihydroxybenzamide
CID 107690520
5-(phenylcarbamoylamino)-N-piperidin-4-ylthiophene-2-carboxamide;hydrochloride
CID 119387776
5-chloro-N-(4-pyrimidin-2-yloxycyclohexyl)thiophene-2-carboxamide
CID 91626280

Frequently Asked Questions

What is the IUPAC name of N-(azepan-4-yl)-5-chlorothiophene-2-carboxamide?
The IUPAC name of N-(azepan-4-yl)-5-chlorothiophene-2-carboxamide (CID 105058867) is N-(azepan-4-yl)-5-chlorothiophene-2-carboxamide.
What is the SMILES notation for N-(azepan-4-yl)-5-chlorothiophene-2-carboxamide?
The canonical SMILES for N-(azepan-4-yl)-5-chlorothiophene-2-carboxamide is O=C(NC1CCCNCC1)c1ccc(Cl)s1.
What is the InChIKey of N-(azepan-4-yl)-5-chlorothiophene-2-carboxamide?
The InChIKey is NIOIRKMRWDBBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2OS/c12-10-4-3-9(16-10)11(15)14-8-2-1-6-13-7-5-8/h3-4,8,13H,1-2,5-7H2,(H,14,15).
What are the key properties of N-(azepan-4-yl)-5-chlorothiophene-2-carboxamide?
N-(azepan-4-yl)-5-chlorothiophene-2-carboxamide has a molecular weight of 258.77 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-4-yl)-5-chlorothiophene-2-carboxamide is sourced from PubChem (CID 105058867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).