N-(cyclopropylmethyl)-5-(2,2-dimethylpropanoylamino)-3-methyl-N-propylthiophene-2-carboxamide

C18H28N2O2S — CID 51296632

IUPACN-(cyclopropylmethyl)-5-(2,2-dimethylpropanoylamino)-3-methyl-N-propylthiophene-2-carboxamide
SMILESCCCN(CC1CC1)C(=O)c1sc(NC(=O)C(C)(C)C)cc1C
InChIInChI=1S/C18H28N2O2S/c1-6-9-20(11-13-7-8-13)16(21)15-12(2)10-14(23-15)19-17(22)18(3,4)5/h10,13H,6-9,11H2,1-5H3,(H,19,22)
InChIKeyIHFUMNOGTVSZEH-UHFFFAOYSA-N
MW336.50 g/mol
LogP4.30
Rot. Bonds6

About N-(cyclopropylmethyl)-5-(2,2-dimethylpropanoylamino)-3-methyl-N-propylthiophene-2-carboxamide

N-(cyclopropylmethyl)-5-(2,2-dimethylpropanoylamino)-3-methyl-N-propylthiophene-2-carboxamide (PubChem CID 51296632) has the molecular formula C18H28N2O2S and a molecular weight of 336.50 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-5-(2,2-dimethylpropanoylamino)-3-methyl-N-propylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-5-(2,2-dimethylpropanoylamino)-3-methyl-N-propylthiophene-2-carboxamide
PubChem CID51296632
Molecular FormulaC18H28N2O2S
Molecular Weight336.50 g/mol
Exact Mass336.19
IUPAC NameN-(cyclopropylmethyl)-5-(2,2-dimethylpropanoylamino)-3-methyl-N-propylthiophene-2-carboxamide
SMILESCCCN(CC1CC1)C(=O)c1sc(NC(=O)C(C)(C)C)cc1C
InChIInChI=1S/C18H28N2O2S/c1-6-9-20(11-13-7-8-13)16(21)15-12(2)10-14(23-15)19-17(22)18(3,4)5/h10,13H,6-9,11H2,1-5H3,(H,19,22)
InChIKeyIHFUMNOGTVSZEH-UHFFFAOYSA-N
XLogP4.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.50
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,2-dimethylpropanoylamino)-N-(2-ethyl-2-hydroxybutyl)-3-methylthiophene-2-carboxamide
CID 111485903
5-(cyclopropanecarbonylamino)-3-methyl-N-propyl-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 99821944
5-[cyclopropylmethyl(propyl)carbamoyl]thiophene-2-carboxylic acid
CID 60722178
5-(2,2-dimethylpropanoylamino)-N-(2-methoxyethyl)-3-methylthiophene-2-carboxamide
CID 51291707
N-(cyclopropylmethyl)-4-methyl-N-propylthiadiazole-5-carboxamide
CID 7576734
N-(cyclopropylmethyl)-5-methyl-N-propyl-4-sulfamoylthiophene-2-carboxamide
CID 115612410
[2-[di(propan-2-yl)amino]-2-oxoethyl] 5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxylate
CID 17467558
5-[cyclopropylmethyl(propyl)carbamoyl]-2-methylthiophene-3-sulfonyl chloride
CID 115994032
N-[(2-bromophenyl)methyl]-5-(2,2-dimethylpropanoylamino)-N,3-dimethylthiophene-2-carboxamide
CID 38044163
5-(2,2-dimethylpropanoylamino)-N-[2-(2-fluorophenoxy)ethyl]-N,3-dimethylthiophene-2-carboxamide
CID 33257999
5-(2,2-dimethylpropanoylamino)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-methylthiophene-2-carboxamide
CID 84592067
N-[4-(cyclopropylcarbamoyl)phenyl]-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide
CID 46553648

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-5-(2,2-dimethylpropanoylamino)-3-methyl-N-propylthiophene-2-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-5-(2,2-dimethylpropanoylamino)-3-methyl-N-propylthiophene-2-carboxamide (CID 51296632) is N-(cyclopropylmethyl)-5-(2,2-dimethylpropanoylamino)-3-methyl-N-propylthiophene-2-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-5-(2,2-dimethylpropanoylamino)-3-methyl-N-propylthiophene-2-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-5-(2,2-dimethylpropanoylamino)-3-methyl-N-propylthiophene-2-carboxamide is CCCN(CC1CC1)C(=O)c1sc(NC(=O)C(C)(C)C)cc1C.
What is the InChIKey of N-(cyclopropylmethyl)-5-(2,2-dimethylpropanoylamino)-3-methyl-N-propylthiophene-2-carboxamide?
The InChIKey is IHFUMNOGTVSZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2S/c1-6-9-20(11-13-7-8-13)16(21)15-12(2)10-14(23-15)19-17(22)18(3,4)5/h10,13H,6-9,11H2,1-5H3,(H,19,22).
What are the key properties of N-(cyclopropylmethyl)-5-(2,2-dimethylpropanoylamino)-3-methyl-N-propylthiophene-2-carboxamide?
N-(cyclopropylmethyl)-5-(2,2-dimethylpropanoylamino)-3-methyl-N-propylthiophene-2-carboxamide has a molecular weight of 336.50 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-5-(2,2-dimethylpropanoylamino)-3-methyl-N-propylthiophene-2-carboxamide is sourced from PubChem (CID 51296632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).