N-[3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]phenyl]thiophene-2-carboxamide

C19H20N4O2S — CID 31521049

IUPACN-[3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]phenyl]thiophene-2-carboxamide
SMILESCc1nn(C)c(C)c1CC(=O)Nc1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C19H20N4O2S/c1-12-16(13(2)23(3)22-12)11-18(24)20-14-6-4-7-15(10-14)21-19(25)17-8-5-9-26-17/h4-10H,11H2,1-3H3,(H,20,24)(H,21,25)
InChIKeyFFPFGVUCLBPBMS-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.53
Rot. Bonds5

About N-[3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]phenyl]thiophene-2-carboxamide

N-[3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]phenyl]thiophene-2-carboxamide (PubChem CID 31521049) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-[3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]phenyl]thiophene-2-carboxamide
PubChem CID31521049
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC NameN-[3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]phenyl]thiophene-2-carboxamide
SMILESCc1nn(C)c(C)c1CC(=O)Nc1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C19H20N4O2S/c1-12-16(13(2)23(3)22-12)11-18(24)20-14-6-4-7-15(10-14)21-19(25)17-8-5-9-26-17/h4-10H,11H2,1-3H3,(H,20,24)(H,21,25)
InChIKeyFFPFGVUCLBPBMS-UHFFFAOYSA-N
XLogP3.53
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]phenyl]thiophene-2-carboxamide
CID 31518712
3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]benzoic acid
CID 43350860
N-[3-[[(E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]amino]phenyl]thiophene-2-carboxamide
CID 31516122
N-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 119701086
N-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 31518535
N-[3-[[2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]phenyl]thiophene-2-carboxamide
CID 5018636
N-ethyl-2,2,2-trifluoro-N-[[3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]phenyl]methyl]acetamide
CID 55674010
2-methyl-4-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]benzoic acid
CID 119240253
4,5-dimethyl-N-[3-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide
CID 86917121
N-[3-[(2,5-dimethylpyrazol-3-yl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 46412624
N-[3-[[2-(tetrazol-1-yl)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 134042808
N-(1,3,4-thiadiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 29370688

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]phenyl]thiophene-2-carboxamide (CID 31521049) is N-[3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]phenyl]thiophene-2-carboxamide is Cc1nn(C)c(C)c1CC(=O)Nc1cccc(NC(=O)c2cccs2)c1.
What is the InChIKey of N-[3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]phenyl]thiophene-2-carboxamide?
The InChIKey is FFPFGVUCLBPBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-12-16(13(2)23(3)22-12)11-18(24)20-14-6-4-7-15(10-14)21-19(25)17-8-5-9-26-17/h4-10H,11H2,1-3H3,(H,20,24)(H,21,25).
What are the key properties of N-[3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]phenyl]thiophene-2-carboxamide?
N-[3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]phenyl]thiophene-2-carboxamide has a molecular weight of 368.46 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 31521049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).