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

C16H17ClN2O2S — CID 17296780

IUPACN-[2-chloro-4-(2,2-dimethylpropanoylamino)phenyl]thiophene-2-carboxamide
SMILESCC(C)(C)C(=O)Nc1ccc(NC(=O)c2cccs2)c(Cl)c1
InChIInChI=1S/C16H17ClN2O2S/c1-16(2,3)15(21)18-10-6-7-12(11(17)9-10)19-14(20)13-5-4-8-22-13/h4-9H,1-3H3,(H,18,21)(H,19,20)
InChIKeyAEYONGNOFGEQGZ-UHFFFAOYSA-N
MW336.84 g/mol
LogP4.64
Rot. Bonds3

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

N-[2-chloro-4-(2,2-dimethylpropanoylamino)phenyl]thiophene-2-carboxamide (PubChem CID 17296780) has the molecular formula C16H17ClN2O2S and a molecular weight of 336.84 g/mol. Its IUPAC name is N-[2-chloro-4-(2,2-dimethylpropanoylamino)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-4-(2,2-dimethylpropanoylamino)phenyl]thiophene-2-carboxamide
PubChem CID17296780
Molecular FormulaC16H17ClN2O2S
Molecular Weight336.84 g/mol
Exact Mass336.07
IUPAC NameN-[2-chloro-4-(2,2-dimethylpropanoylamino)phenyl]thiophene-2-carboxamide
SMILESCC(C)(C)C(=O)Nc1ccc(NC(=O)c2cccs2)c(Cl)c1
InChIInChI=1S/C16H17ClN2O2S/c1-16(2,3)15(21)18-10-6-7-12(11(17)9-10)19-14(20)13-5-4-8-22-13/h4-9H,1-3H3,(H,18,21)(H,19,20)
InChIKeyAEYONGNOFGEQGZ-UHFFFAOYSA-N
XLogP4.64
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.84
LogP ≤ 54.64
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-propylpentanoylamino)phenyl]thiophene-2-carboxamide
CID 4278624
4-[3-chloro-4-(thiophene-2-carbonylamino)anilino]-4-oxobutanoate
CID 6979012
N-[2-chloro-4-(4-thiophen-2-ylbutanoylamino)phenyl]-2,2-dimethylpropanamide
CID 131916019
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-methoxyphenyl)thiophene-2-carboxamide
CID 878235
N-[4-methyl-3-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide
CID 838783
N-[2-methoxy-4-[(2-methyl-2-phenoxypropanoyl)amino]phenyl]thiophene-2-carboxamide
CID 30309153
N-(4-chloro-3-methoxyphenyl)thiophene-2-carboxamide
CID 107271770
N-[(2-chloro-4-iodophenyl)carbamothioyl]thiophene-2-carboxamide
CID 1347270
N-[5-(3-aminopropanoylamino)-2-chlorophenyl]thiophene-2-carboxamide
CID 82034454

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-(2,2-dimethylpropanoylamino)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-chloro-4-(2,2-dimethylpropanoylamino)phenyl]thiophene-2-carboxamide (CID 17296780) is N-[2-chloro-4-(2,2-dimethylpropanoylamino)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-chloro-4-(2,2-dimethylpropanoylamino)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-chloro-4-(2,2-dimethylpropanoylamino)phenyl]thiophene-2-carboxamide is CC(C)(C)C(=O)Nc1ccc(NC(=O)c2cccs2)c(Cl)c1.
What is the InChIKey of N-[2-chloro-4-(2,2-dimethylpropanoylamino)phenyl]thiophene-2-carboxamide?
The InChIKey is AEYONGNOFGEQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2S/c1-16(2,3)15(21)18-10-6-7-12(11(17)9-10)19-14(20)13-5-4-8-22-13/h4-9H,1-3H3,(H,18,21)(H,19,20).
What are the key properties of N-[2-chloro-4-(2,2-dimethylpropanoylamino)phenyl]thiophene-2-carboxamide?
N-[2-chloro-4-(2,2-dimethylpropanoylamino)phenyl]thiophene-2-carboxamide has a molecular weight of 336.84 g/mol, XLogP of 4.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-(2,2-dimethylpropanoylamino)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 17296780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).