N-[2-(1-imidazol-1-ylpropan-2-ylcarbamoyl)phenyl]-N-methylthiophene-2-carboxamide

C19H20N4O2S — CID 47031153

IUPACN-[2-(1-imidazol-1-ylpropan-2-ylcarbamoyl)phenyl]-N-methylthiophene-2-carboxamide
SMILESCC(Cn1ccnc1)NC(=O)c1ccccc1N(C)C(=O)c1cccs1
InChIInChI=1S/C19H20N4O2S/c1-14(12-23-10-9-20-13-23)21-18(24)15-6-3-4-7-16(15)22(2)19(25)17-8-5-11-26-17/h3-11,13-14H,12H2,1-2H3,(H,21,24)
InChIKeyHFQWFAQQALVXRH-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.04
Rot. Bonds6

About N-[2-(1-imidazol-1-ylpropan-2-ylcarbamoyl)phenyl]-N-methylthiophene-2-carboxamide

N-[2-(1-imidazol-1-ylpropan-2-ylcarbamoyl)phenyl]-N-methylthiophene-2-carboxamide (PubChem CID 47031153) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-[2-(1-imidazol-1-ylpropan-2-ylcarbamoyl)phenyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1-imidazol-1-ylpropan-2-ylcarbamoyl)phenyl]-N-methylthiophene-2-carboxamide
PubChem CID47031153
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC NameN-[2-(1-imidazol-1-ylpropan-2-ylcarbamoyl)phenyl]-N-methylthiophene-2-carboxamide
SMILESCC(Cn1ccnc1)NC(=O)c1ccccc1N(C)C(=O)c1cccs1
InChIInChI=1S/C19H20N4O2S/c1-14(12-23-10-9-20-13-23)21-18(24)15-6-3-4-7-16(15)22(2)19(25)17-8-5-11-26-17/h3-11,13-14H,12H2,1-2H3,(H,21,24)
InChIKeyHFQWFAQQALVXRH-UHFFFAOYSA-N
XLogP3.04
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-N-[(2S)-1-imidazol-1-ylpropan-2-yl]benzamide
CID 93422582
2-fluoro-N-[(2R)-1-imidazol-1-ylpropan-2-yl]benzamide
CID 93422583
N-[2-[[(1R)-1-(4-chlorophenyl)ethyl]carbamoyl]phenyl]-N-methylthiophene-2-carboxamide
CID 35700243
N-(1-imidazol-1-ylpropan-2-yl)-5-methylthiophene-2-carboxamide
CID 47187508
2-hydrazinyl-N-(1-imidazol-1-ylpropan-2-yl)pyridine-3-carboxamide
CID 62241282
2-cyclobutyloxy-N-(1-imidazol-1-ylpropan-2-yl)benzamide
CID 71875442
2-cyclobutyloxy-N-[(2S)-1-imidazol-1-ylpropan-2-yl]benzamide
CID 97088063
N-[2-[(1-cyclopropylpiperidin-4-yl)carbamoyl]phenyl]-N-methylthiophene-2-carboxamide
CID 55567595
N-[(2R)-1-imidazol-1-ylpropan-2-yl]-2-methyl-6-phenylpyridine-3-carboxamide
CID 94173055
1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(1-imidazol-1-ylpropan-2-yl)urea
CID 111440930
2-fluoro-N-(1-imidazol-1-ylpropan-2-yl)-4-phenylbenzamide
CID 47036680
N-methyl-N-[2-(3-phenylsulfanylpropylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 38769819

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-imidazol-1-ylpropan-2-ylcarbamoyl)phenyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-(1-imidazol-1-ylpropan-2-ylcarbamoyl)phenyl]-N-methylthiophene-2-carboxamide (CID 47031153) is N-[2-(1-imidazol-1-ylpropan-2-ylcarbamoyl)phenyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(1-imidazol-1-ylpropan-2-ylcarbamoyl)phenyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(1-imidazol-1-ylpropan-2-ylcarbamoyl)phenyl]-N-methylthiophene-2-carboxamide is CC(Cn1ccnc1)NC(=O)c1ccccc1N(C)C(=O)c1cccs1.
What is the InChIKey of N-[2-(1-imidazol-1-ylpropan-2-ylcarbamoyl)phenyl]-N-methylthiophene-2-carboxamide?
The InChIKey is HFQWFAQQALVXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-14(12-23-10-9-20-13-23)21-18(24)15-6-3-4-7-16(15)22(2)19(25)17-8-5-11-26-17/h3-11,13-14H,12H2,1-2H3,(H,21,24).
What are the key properties of N-[2-(1-imidazol-1-ylpropan-2-ylcarbamoyl)phenyl]-N-methylthiophene-2-carboxamide?
N-[2-(1-imidazol-1-ylpropan-2-ylcarbamoyl)phenyl]-N-methylthiophene-2-carboxamide has a molecular weight of 368.46 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-imidazol-1-ylpropan-2-ylcarbamoyl)phenyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 47031153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).