N-cyclopropyl-N-(3-methylbutyl)-2-thiophen-2-ylacetamide

C14H21NOS — CID 86924480

IUPACN-cyclopropyl-N-(3-methylbutyl)-2-thiophen-2-ylacetamide
SMILESCC(C)CCN(C(=O)Cc1cccs1)C1CC1
InChIInChI=1S/C14H21NOS/c1-11(2)7-8-15(12-5-6-12)14(16)10-13-4-3-9-17-13/h3-4,9,11-12H,5-8,10H2,1-2H3
InChIKeyYPGGHHFICXHWQZ-UHFFFAOYSA-N
MW251.39 g/mol
LogP3.33
Rot. Bonds6

About N-cyclopropyl-N-(3-methylbutyl)-2-thiophen-2-ylacetamide

N-cyclopropyl-N-(3-methylbutyl)-2-thiophen-2-ylacetamide (PubChem CID 86924480) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is N-cyclopropyl-N-(3-methylbutyl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(3-methylbutyl)-2-thiophen-2-ylacetamide
PubChem CID86924480
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC NameN-cyclopropyl-N-(3-methylbutyl)-2-thiophen-2-ylacetamide
SMILESCC(C)CCN(C(=O)Cc1cccs1)C1CC1
InChIInChI=1S/C14H21NOS/c1-11(2)7-8-15(12-5-6-12)14(16)10-13-4-3-9-17-13/h3-4,9,11-12H,5-8,10H2,1-2H3
InChIKeyYPGGHHFICXHWQZ-UHFFFAOYSA-N
XLogP3.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromoethyl)-N-cyclopropyl-2-thiophen-2-ylacetamide
CID 80678217
N-cyclopropyl-N-(3-methylbutyl)thiophene-2-carboxamide
CID 60733247
N-(oxan-4-yl)-2-thiophen-2-yl-N-(2-thiophen-2-ylethyl)acetamide
CID 90611026
(3S)-3-(carbamoylamino)-N-cyclopropyl-N-(3-methylbutyl)-3-thiophen-2-ylpropanamide
CID 95156252
N-cyclopropyl-N-(3-methylbutyl)-2-(4-sulfanylphenyl)acetamide
CID 107026531
N-[(4-aminophenyl)methyl]-N-cyclopropyl-2-thiophen-2-ylacetamide
CID 43460540
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-cyclopropyl-N-(3-methylbutyl)acetamide
CID 78974447
N,N-bis(2-hydroxypropyl)-2-thiophen-2-ylacetamide
CID 112509111
2-(4-cyanophenyl)-N-cyclopropyl-N-(3-methylbutyl)acetamide
CID 78990662
N-cyclopropyl-2-methyl-N-(thiophen-2-ylmethyl)butanamide
CID 78852309
N-phenyl-N-(1-propan-2-ylpiperidin-4-yl)-2-thiophen-2-ylacetamide
CID 23339066
N-cyclopropyl-3-(2-fluorophenyl)-N-(3-methylbutyl)propanamide
CID 86985273

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(3-methylbutyl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-cyclopropyl-N-(3-methylbutyl)-2-thiophen-2-ylacetamide (CID 86924480) is N-cyclopropyl-N-(3-methylbutyl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-cyclopropyl-N-(3-methylbutyl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-cyclopropyl-N-(3-methylbutyl)-2-thiophen-2-ylacetamide is CC(C)CCN(C(=O)Cc1cccs1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(3-methylbutyl)-2-thiophen-2-ylacetamide?
The InChIKey is YPGGHHFICXHWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-11(2)7-8-15(12-5-6-12)14(16)10-13-4-3-9-17-13/h3-4,9,11-12H,5-8,10H2,1-2H3.
What are the key properties of N-cyclopropyl-N-(3-methylbutyl)-2-thiophen-2-ylacetamide?
N-cyclopropyl-N-(3-methylbutyl)-2-thiophen-2-ylacetamide has a molecular weight of 251.39 g/mol, XLogP of 3.33, 6 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)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 86924480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).