N-cyclopropyl-N-(3-methylbutyl)thiophene-2-carboxamide

C13H19NOS — CID 60733247

IUPACN-cyclopropyl-N-(3-methylbutyl)thiophene-2-carboxamide
SMILESCC(C)CCN(C(=O)c1cccs1)C1CC1
InChIInChI=1S/C13H19NOS/c1-10(2)7-8-14(11-5-6-11)13(15)12-4-3-9-16-12/h3-4,9-11H,5-8H2,1-2H3
InChIKeyZHIYNIYDNPZWTK-UHFFFAOYSA-N
MW237.37 g/mol
LogP3.40
Rot. Bonds5

About N-cyclopropyl-N-(3-methylbutyl)thiophene-2-carboxamide

N-cyclopropyl-N-(3-methylbutyl)thiophene-2-carboxamide (PubChem CID 60733247) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is N-cyclopropyl-N-(3-methylbutyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(3-methylbutyl)thiophene-2-carboxamide
PubChem CID60733247
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC NameN-cyclopropyl-N-(3-methylbutyl)thiophene-2-carboxamide
SMILESCC(C)CCN(C(=O)c1cccs1)C1CC1
InChIInChI=1S/C13H19NOS/c1-10(2)7-8-14(11-5-6-11)13(15)12-4-3-9-16-12/h3-4,9-11H,5-8H2,1-2H3
InChIKeyZHIYNIYDNPZWTK-UHFFFAOYSA-N
XLogP3.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-N-(3-methylbutyl)-2-thiophen-2-ylacetamide
CID 86924480
5-[cyclopropyl(3-methylbutyl)carbamoyl]thiophene-2-carboxylic acid
CID 115281184
N-(1-methylpiperidin-4-yl)-N-propylthiophene-2-carboxamide
CID 4231172
N-cyclopropyl-2,6-dihydroxy-N-(3-methylbutyl)benzamide
CID 107689256
N-cyclopropyl-2-hydroxy-N-(3-methylbutyl)benzamide
CID 113224066
N-cyclopropyl-N-(3-methylbutyl)furan-2-carboxamide
CID 60732998
6-amino-N-cyclopropyl-N-(3-methylbutyl)pyridine-2-carboxamide;hydrochloride
CID 119999003
(3S)-3-(carbamoylamino)-N-cyclopropyl-N-(3-methylbutyl)-3-thiophen-2-ylpropanamide
CID 95156252
methyl 2-[cyclopentyl(thiophene-2-carbonyl)amino]acetate
CID 80709531
N-[1-(2-amino-2-methylpropyl)piperidin-4-yl]-N-propylthiophene-2-carboxamide
CID 120854150
N-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]thiophene-2-carboxamide
CID 7259974
4-(chloromethyl)-N-cyclopropyl-N-(3-methylbutyl)benzamide
CID 54875046

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(3-methylbutyl)thiophene-2-carboxamide?
The IUPAC name of N-cyclopropyl-N-(3-methylbutyl)thiophene-2-carboxamide (CID 60733247) is N-cyclopropyl-N-(3-methylbutyl)thiophene-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-(3-methylbutyl)thiophene-2-carboxamide?
The canonical SMILES for N-cyclopropyl-N-(3-methylbutyl)thiophene-2-carboxamide is CC(C)CCN(C(=O)c1cccs1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(3-methylbutyl)thiophene-2-carboxamide?
The InChIKey is ZHIYNIYDNPZWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-10(2)7-8-14(11-5-6-11)13(15)12-4-3-9-16-12/h3-4,9-11H,5-8H2,1-2H3.
What are the key properties of N-cyclopropyl-N-(3-methylbutyl)thiophene-2-carboxamide?
N-cyclopropyl-N-(3-methylbutyl)thiophene-2-carboxamide has a molecular weight of 237.37 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(3-methylbutyl)thiophene-2-carboxamide is sourced from PubChem (CID 60733247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).