N-[2-chloro-4-(2-propylpentanoylamino)phenyl]thiophene-2-carboxamide

C19H23ClN2O2S — CID 4278624

IUPACN-[2-chloro-4-(2-propylpentanoylamino)phenyl]thiophene-2-carboxamide
SMILESCCCC(CCC)C(=O)Nc1ccc(NC(=O)c2cccs2)c(Cl)c1
InChIInChI=1S/C19H23ClN2O2S/c1-3-6-13(7-4-2)18(23)21-14-9-10-16(15(20)12-14)22-19(24)17-8-5-11-25-17/h5,8-13H,3-4,6-7H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyQSZLEJPIUIBTMV-UHFFFAOYSA-N
MW378.93 g/mol
LogP5.81
Rot. Bonds8

About N-[2-chloro-4-(2-propylpentanoylamino)phenyl]thiophene-2-carboxamide

N-[2-chloro-4-(2-propylpentanoylamino)phenyl]thiophene-2-carboxamide (PubChem CID 4278624) has the molecular formula C19H23ClN2O2S and a molecular weight of 378.93 g/mol. Its IUPAC name is N-[2-chloro-4-(2-propylpentanoylamino)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-4-(2-propylpentanoylamino)phenyl]thiophene-2-carboxamide
PubChem CID4278624
Molecular FormulaC19H23ClN2O2S
Molecular Weight378.93 g/mol
Exact Mass378.12
IUPAC NameN-[2-chloro-4-(2-propylpentanoylamino)phenyl]thiophene-2-carboxamide
SMILESCCCC(CCC)C(=O)Nc1ccc(NC(=O)c2cccs2)c(Cl)c1
InChIInChI=1S/C19H23ClN2O2S/c1-3-6-13(7-4-2)18(23)21-14-9-10-16(15(20)12-14)22-19(24)17-8-5-11-25-17/h5,8-13H,3-4,6-7H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyQSZLEJPIUIBTMV-UHFFFAOYSA-N
XLogP5.81
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.93
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-chloro-4-(ethylamino)phenyl]thiophene-2-carboxamide
CID 91677806
N-[2-chloro-4-(2,2-dimethylpropanoylamino)phenyl]thiophene-2-carboxamide
CID 17296780
4-[3-chloro-4-(thiophene-2-carbonylamino)anilino]-4-oxobutanoate
CID 6979012
N-(2-chlorophenyl)thiophene-2-carboxamide
CID 652985
N-[4-[(4-bromo-2-chlorophenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 60528117
N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide
CID 969199
N-[3-[[(2S)-2-methylbutanoyl]amino]phenyl]thiophene-2-carboxamide
CID 7268815
N-(3-chloro-4-methoxyphenyl)thiophene-2-carboxamide
CID 878235
N-[4-methyl-3-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide
CID 838783
N-[5-(3-aminopropanoylamino)-2-chlorophenyl]thiophene-2-carboxamide
CID 82034454
2-(aminomethyl)-N-(3-chloro-4-methylphenyl)pentanamide
CID 65224354
N-(4-chloro-3-methoxyphenyl)thiophene-2-carboxamide
CID 107271770

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-(2-propylpentanoylamino)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-chloro-4-(2-propylpentanoylamino)phenyl]thiophene-2-carboxamide (CID 4278624) is N-[2-chloro-4-(2-propylpentanoylamino)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-chloro-4-(2-propylpentanoylamino)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-chloro-4-(2-propylpentanoylamino)phenyl]thiophene-2-carboxamide is CCCC(CCC)C(=O)Nc1ccc(NC(=O)c2cccs2)c(Cl)c1.
What is the InChIKey of N-[2-chloro-4-(2-propylpentanoylamino)phenyl]thiophene-2-carboxamide?
The InChIKey is QSZLEJPIUIBTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2S/c1-3-6-13(7-4-2)18(23)21-14-9-10-16(15(20)12-14)22-19(24)17-8-5-11-25-17/h5,8-13H,3-4,6-7H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-[2-chloro-4-(2-propylpentanoylamino)phenyl]thiophene-2-carboxamide?
N-[2-chloro-4-(2-propylpentanoylamino)phenyl]thiophene-2-carboxamide has a molecular weight of 378.93 g/mol, XLogP of 5.81, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-(2-propylpentanoylamino)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 4278624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).