N-[2-chloro-5-[1-(oxolan-2-yl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide

C18H19ClN2O3S — CID 43062296

IUPACN-[2-chloro-5-[1-(oxolan-2-yl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)C1CCCO1
InChIInChI=1S/C18H19ClN2O3S/c1-11(15-4-2-8-24-15)20-17(22)12-6-7-13(19)14(10-12)21-18(23)16-5-3-9-25-16/h3,5-7,9-11,15H,2,4,8H2,1H3,(H,20,22)(H,21,23)
InChIKeyNGEUBTNTTVUQGI-UHFFFAOYSA-N
MW378.88 g/mol
LogP3.95
Rot. Bonds5

About N-[2-chloro-5-[1-(oxolan-2-yl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide

N-[2-chloro-5-[1-(oxolan-2-yl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 43062296) has the molecular formula C18H19ClN2O3S and a molecular weight of 378.88 g/mol. Its IUPAC name is N-[2-chloro-5-[1-(oxolan-2-yl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-[1-(oxolan-2-yl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID43062296
Molecular FormulaC18H19ClN2O3S
Molecular Weight378.88 g/mol
Exact Mass378.08
IUPAC NameN-[2-chloro-5-[1-(oxolan-2-yl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)C1CCCO1
InChIInChI=1S/C18H19ClN2O3S/c1-11(15-4-2-8-24-15)20-17(22)12-6-7-13(19)14(10-12)21-18(23)16-5-3-9-25-16/h3,5-7,9-11,15H,2,4,8H2,1H3,(H,20,22)(H,21,23)
InChIKeyNGEUBTNTTVUQGI-UHFFFAOYSA-N
XLogP3.95
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.88
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-iodo-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 103735000
N-[5-(acetamidocarbamoyl)-2-chlorophenyl]thiophene-2-carboxamide
CID 43006993
N-[5-[[(1S)-1-(1-adamantyl)ethyl]carbamoyl]-2-chlorophenyl]thiophene-2-carboxamide
CID 41152356
N-[2-chloro-5-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 55360579
4-[[4-chloro-3-(thiophene-2-carbonylamino)benzoyl]amino]pentanoic acid
CID 102561133
N-[2-chloro-5-(6-methylheptan-2-ylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 43005371
N-[2-chloro-5-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 43058073
N-[2-chloro-5-[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 55666154
4-chloro-3-methylsulfonyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]benzamide
CID 35230890
3-hydroxy-4-iodo-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 104627700
N-[5-(azocane-1-carbonyl)-2-chlorophenyl]thiophene-2-carboxamide
CID 51145614
N-[2-chloro-5-[(2,5-dimethylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 26500049

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[1-(oxolan-2-yl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-chloro-5-[1-(oxolan-2-yl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide (CID 43062296) is N-[2-chloro-5-[1-(oxolan-2-yl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-chloro-5-[1-(oxolan-2-yl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-chloro-5-[1-(oxolan-2-yl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide is CC(NC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)C1CCCO1.
What is the InChIKey of N-[2-chloro-5-[1-(oxolan-2-yl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is NGEUBTNTTVUQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3S/c1-11(15-4-2-8-24-15)20-17(22)12-6-7-13(19)14(10-12)21-18(23)16-5-3-9-25-16/h3,5-7,9-11,15H,2,4,8H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-[2-chloro-5-[1-(oxolan-2-yl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide?
N-[2-chloro-5-[1-(oxolan-2-yl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 378.88 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-[1-(oxolan-2-yl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 43062296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).