N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-N-propan-2-ylthiophene-2-carboxamide

C18H26N4O2S — CID 42740425

IUPACN-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-N-propan-2-ylthiophene-2-carboxamide
SMILESCC(C)N(CC(=O)Nc1cc(C(C)(C)C)nn1C)C(=O)c1cccs1
InChIInChI=1S/C18H26N4O2S/c1-12(2)22(17(24)13-8-7-9-25-13)11-16(23)19-15-10-14(18(3,4)5)20-21(15)6/h7-10,12H,11H2,1-6H3,(H,19,23)
InChIKeyMKYAMNDWIXCFMQ-UHFFFAOYSA-N
MW362.50 g/mol
LogP3.27
Rot. Bonds5

About N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-N-propan-2-ylthiophene-2-carboxamide

N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-N-propan-2-ylthiophene-2-carboxamide (PubChem CID 42740425) has the molecular formula C18H26N4O2S and a molecular weight of 362.50 g/mol. Its IUPAC name is N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-N-propan-2-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-N-propan-2-ylthiophene-2-carboxamide
PubChem CID42740425
Molecular FormulaC18H26N4O2S
Molecular Weight362.50 g/mol
Exact Mass362.18
IUPAC NameN-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-N-propan-2-ylthiophene-2-carboxamide
SMILESCC(C)N(CC(=O)Nc1cc(C(C)(C)C)nn1C)C(=O)c1cccs1
InChIInChI=1S/C18H26N4O2S/c1-12(2)22(17(24)13-8-7-9-25-13)11-16(23)19-15-10-14(18(3,4)5)20-21(15)6/h7-10,12H,11H2,1-6H3,(H,19,23)
InChIKeyMKYAMNDWIXCFMQ-UHFFFAOYSA-N
XLogP3.27
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 42740482
2-bromo-N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 42740459
(2R)-N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-2-chloro-2-phenyl-N-propan-2-ylacetamide
CID 1060774
N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylthiophene-2-carboxamide
CID 1060886
N-[2-[[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)thiophene-2-carboxamide
CID 42734676
N-[2-[[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylthiophene-2-carboxamide
CID 42740882
N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-4-phenyl-N-propan-2-ylbenzamide
CID 42733521
N-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-propylthiophene-2-carboxamide
CID 1052212
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[dimethylcarbamoyl(propan-2-yl)amino]acetamide
CID 42735336
N-(1,3-ditert-butylpyrazol-5-yl)-2-[(2,3-dimethylphenyl)carbamoyl-propan-2-ylamino]acetamide
CID 1052740
N-benzyl-N-[2-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 42735344
N-[2-[[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-4-methoxy-N-propan-2-ylbenzamide
CID 42740757

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-N-propan-2-ylthiophene-2-carboxamide?
The IUPAC name of N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-N-propan-2-ylthiophene-2-carboxamide (CID 42740425) is N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-N-propan-2-ylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-N-propan-2-ylthiophene-2-carboxamide?
The canonical SMILES for N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-N-propan-2-ylthiophene-2-carboxamide is CC(C)N(CC(=O)Nc1cc(C(C)(C)C)nn1C)C(=O)c1cccs1.
What is the InChIKey of N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-N-propan-2-ylthiophene-2-carboxamide?
The InChIKey is MKYAMNDWIXCFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2S/c1-12(2)22(17(24)13-8-7-9-25-13)11-16(23)19-15-10-14(18(3,4)5)20-21(15)6/h7-10,12H,11H2,1-6H3,(H,19,23).
What are the key properties of N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-N-propan-2-ylthiophene-2-carboxamide?
N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-N-propan-2-ylthiophene-2-carboxamide has a molecular weight of 362.50 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-N-propan-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 42740425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).