N-[5-(azocane-1-carbonyl)-2-chlorophenyl]thiophene-2-carboxamide

C19H21ClN2O2S — CID 51145614

IUPACN-[5-(azocane-1-carbonyl)-2-chlorophenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cc(C(=O)N2CCCCCCC2)ccc1Cl)c1cccs1
InChIInChI=1S/C19H21ClN2O2S/c20-15-9-8-14(19(24)22-10-4-2-1-3-5-11-22)13-16(15)21-18(23)17-7-6-12-25-17/h6-9,12-13H,1-5,10-11H2,(H,21,23)
InChIKeyRCQHYXAFNGCHRU-UHFFFAOYSA-N
MW376.91 g/mol
LogP5.06
Rot. Bonds3

About N-[5-(azocane-1-carbonyl)-2-chlorophenyl]thiophene-2-carboxamide

N-[5-(azocane-1-carbonyl)-2-chlorophenyl]thiophene-2-carboxamide (PubChem CID 51145614) has the molecular formula C19H21ClN2O2S and a molecular weight of 376.91 g/mol. Its IUPAC name is N-[5-(azocane-1-carbonyl)-2-chlorophenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-(azocane-1-carbonyl)-2-chlorophenyl]thiophene-2-carboxamide
PubChem CID51145614
Molecular FormulaC19H21ClN2O2S
Molecular Weight376.91 g/mol
Exact Mass376.10
IUPAC NameN-[5-(azocane-1-carbonyl)-2-chlorophenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cc(C(=O)N2CCCCCCC2)ccc1Cl)c1cccs1
InChIInChI=1S/C19H21ClN2O2S/c20-15-9-8-14(19(24)22-10-4-2-1-3-5-11-22)13-16(15)21-18(23)17-7-6-12-25-17/h6-9,12-13H,1-5,10-11H2,(H,21,23)
InChIKeyRCQHYXAFNGCHRU-UHFFFAOYSA-N
XLogP5.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.91
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-2-chlorophenyl]thiophene-2-carboxamide
CID 41282701
N-[2-chloro-5-[4-(4-methylbenzoyl)piperidine-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 55956968
N-[2-chloro-5-[4-(3-hydroxyphenyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 112800496
N-[2-chloro-5-[4-(4-methoxyphenyl)-1,4-diazepane-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 55956560
N-[2-chloro-5-(3-methylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 119579255
N-[5-[4-[(4-carbamoylphenyl)methyl]piperazine-1-carbonyl]-2-chlorophenyl]thiophene-2-carboxamide
CID 112826553
N-[2-chloro-5-[4-(6-chloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 55861643
N-[5-[2-(aminomethyl)piperidine-1-carbonyl]-2-chlorophenyl]thiophene-2-carboxamide
CID 119468501
[1-[4-chloro-3-(thiophene-2-carbonylamino)benzoyl]piperidin-3-yl] acetate
CID 75387916
N-[5-[3-(1-aminoethyl)piperidine-1-carbonyl]-2-chlorophenyl]thiophene-2-carboxamide;hydrochloride
CID 119595398
N-[2-chloro-5-[(1-piperidin-1-ylcyclohexyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 26560125
N-[4-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 761867

Frequently Asked Questions

What is the IUPAC name of N-[5-(azocane-1-carbonyl)-2-chlorophenyl]thiophene-2-carboxamide?
The IUPAC name of N-[5-(azocane-1-carbonyl)-2-chlorophenyl]thiophene-2-carboxamide (CID 51145614) is N-[5-(azocane-1-carbonyl)-2-chlorophenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[5-(azocane-1-carbonyl)-2-chlorophenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[5-(azocane-1-carbonyl)-2-chlorophenyl]thiophene-2-carboxamide is O=C(Nc1cc(C(=O)N2CCCCCCC2)ccc1Cl)c1cccs1.
What is the InChIKey of N-[5-(azocane-1-carbonyl)-2-chlorophenyl]thiophene-2-carboxamide?
The InChIKey is RCQHYXAFNGCHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2S/c20-15-9-8-14(19(24)22-10-4-2-1-3-5-11-22)13-16(15)21-18(23)17-7-6-12-25-17/h6-9,12-13H,1-5,10-11H2,(H,21,23).
What are the key properties of N-[5-(azocane-1-carbonyl)-2-chlorophenyl]thiophene-2-carboxamide?
N-[5-(azocane-1-carbonyl)-2-chlorophenyl]thiophene-2-carboxamide has a molecular weight of 376.91 g/mol, XLogP of 5.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(azocane-1-carbonyl)-2-chlorophenyl]thiophene-2-carboxamide is sourced from PubChem (CID 51145614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).