N-[2-[(2-hydroxy-2,3-dimethylbutyl)carbamoyl]phenyl]thiophene-2-carboxamide

C18H22N2O3S — CID 111483577

IUPACN-[2-[(2-hydroxy-2,3-dimethylbutyl)carbamoyl]phenyl]thiophene-2-carboxamide
SMILESCC(C)C(C)(O)CNC(=O)c1ccccc1NC(=O)c1cccs1
InChIInChI=1S/C18H22N2O3S/c1-12(2)18(3,23)11-19-16(21)13-7-4-5-8-14(13)20-17(22)15-9-6-10-24-15/h4-10,12,23H,11H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyMASIRGFULJSSHS-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.14
Rot. Bonds6

About N-[2-[(2-hydroxy-2,3-dimethylbutyl)carbamoyl]phenyl]thiophene-2-carboxamide

N-[2-[(2-hydroxy-2,3-dimethylbutyl)carbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 111483577) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-[2-[(2-hydroxy-2,3-dimethylbutyl)carbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-hydroxy-2,3-dimethylbutyl)carbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID111483577
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-[2-[(2-hydroxy-2,3-dimethylbutyl)carbamoyl]phenyl]thiophene-2-carboxamide
SMILESCC(C)C(C)(O)CNC(=O)c1ccccc1NC(=O)c1cccs1
InChIInChI=1S/C18H22N2O3S/c1-12(2)18(3,23)11-19-16(21)13-7-4-5-8-14(13)20-17(22)15-9-6-10-24-15/h4-10,12,23H,11H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyMASIRGFULJSSHS-UHFFFAOYSA-N
XLogP3.14
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[2-[(2-hydroxy-2,3-dimethylbutyl)carbamoyl]phenyl]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[(2-hydroxy-2,3-dimethylbutyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 111483718
N-[1-oxo-1-[2-(2,2,2-trifluoroethylcarbamoyl)anilino]propan-2-yl]thiophene-2-carboxamide
CID 55489098
N-[2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 55933929
N-[2-[[(1R)-1-thiophen-2-ylethyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 25497398
N-[2-(2-phenylethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 2992339
N-[2-(pyridin-4-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 24653521
N-[2-[(4-chlorophenyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 23913368
N-[2-[[2-(2-bromoanilino)-2-oxoethyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 24681758
N-[[2-(tert-butylcarbamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide
CID 4936533
N-[[2-(2-methoxyethylcarbamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide
CID 17150440
N-[2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 24668236
N-[2-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 71898965

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-hydroxy-2,3-dimethylbutyl)carbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[(2-hydroxy-2,3-dimethylbutyl)carbamoyl]phenyl]thiophene-2-carboxamide (CID 111483577) is N-[2-[(2-hydroxy-2,3-dimethylbutyl)carbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[(2-hydroxy-2,3-dimethylbutyl)carbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[(2-hydroxy-2,3-dimethylbutyl)carbamoyl]phenyl]thiophene-2-carboxamide is CC(C)C(C)(O)CNC(=O)c1ccccc1NC(=O)c1cccs1.
What is the InChIKey of N-[2-[(2-hydroxy-2,3-dimethylbutyl)carbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is MASIRGFULJSSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-12(2)18(3,23)11-19-16(21)13-7-4-5-8-14(13)20-17(22)15-9-6-10-24-15/h4-10,12,23H,11H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of N-[2-[(2-hydroxy-2,3-dimethylbutyl)carbamoyl]phenyl]thiophene-2-carboxamide?
N-[2-[(2-hydroxy-2,3-dimethylbutyl)carbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 346.45 g/mol, XLogP of 3.14, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-hydroxy-2,3-dimethylbutyl)carbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 111483577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).