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

C20H22N4O2S — CID 31518712

IUPACN-[3-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]phenyl]thiophene-2-carboxamide
SMILESCc1nn(C)c(C)c1CCC(=O)Nc1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C20H22N4O2S/c1-13-17(14(2)24(3)23-13)9-10-19(25)21-15-6-4-7-16(12-15)22-20(26)18-8-5-11-27-18/h4-8,11-12H,9-10H2,1-3H3,(H,21,25)(H,22,26)
InChIKeyMJNBNZBDLWGRJJ-UHFFFAOYSA-N
MW382.49 g/mol
LogP3.92
Rot. Bonds6

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

N-[3-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]phenyl]thiophene-2-carboxamide (PubChem CID 31518712) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is N-[3-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]phenyl]thiophene-2-carboxamide
PubChem CID31518712
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC NameN-[3-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]phenyl]thiophene-2-carboxamide
SMILESCc1nn(C)c(C)c1CCC(=O)Nc1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C20H22N4O2S/c1-13-17(14(2)24(3)23-13)9-10-19(25)21-15-6-4-7-16(12-15)22-20(26)18-8-5-11-27-18/h4-8,11-12H,9-10H2,1-3H3,(H,21,25)(H,22,26)
InChIKeyMJNBNZBDLWGRJJ-UHFFFAOYSA-N
XLogP3.92
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 31521049
N-[3-(methoxymethyl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 32639084
N-[3-[[(E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]amino]phenyl]thiophene-2-carboxamide
CID 31516122
N-[3-(1-methyltetrazol-5-yl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 26124808
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-[3-[3-(3-fluorophenyl)propanoylamino]phenyl]thiophene-2-carboxamide
CID 31521034
N-[3-[3-(3-methoxyphenyl)propanoylamino]phenyl]thiophene-2-carboxamide
CID 29335398
N-[3-(butanoylamino)phenyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 87026220
N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 33038542
N-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 119701086
N-(2-methyl-1-benzofuran-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 131942160
N-(4-methylsulfonylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 51290114

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]phenyl]thiophene-2-carboxamide (CID 31518712) is N-[3-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]phenyl]thiophene-2-carboxamide is Cc1nn(C)c(C)c1CCC(=O)Nc1cccc(NC(=O)c2cccs2)c1.
What is the InChIKey of N-[3-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]phenyl]thiophene-2-carboxamide?
The InChIKey is MJNBNZBDLWGRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c1-13-17(14(2)24(3)23-13)9-10-19(25)21-15-6-4-7-16(12-15)22-20(26)18-8-5-11-27-18/h4-8,11-12H,9-10H2,1-3H3,(H,21,25)(H,22,26).
What are the key properties of N-[3-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]phenyl]thiophene-2-carboxamide?
N-[3-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]phenyl]thiophene-2-carboxamide has a molecular weight of 382.49 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 31518712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).