N-butan-2-yl-N-methyl-4-thiophen-2-ylbutanamide

C13H21NOS — CID 78854172

IUPACN-butan-2-yl-N-methyl-4-thiophen-2-ylbutanamide
SMILESCCC(C)N(C)C(=O)CCCc1cccs1
InChIInChI=1S/C13H21NOS/c1-4-11(2)14(3)13(15)9-5-7-12-8-6-10-16-12/h6,8,10-11H,4-5,7,9H2,1-3H3
InChIKeyHWTYUNKDRQYUAY-UHFFFAOYSA-N
MW239.38 g/mol
LogP3.33
Rot. Bonds6

About N-butan-2-yl-N-methyl-4-thiophen-2-ylbutanamide

N-butan-2-yl-N-methyl-4-thiophen-2-ylbutanamide (PubChem CID 78854172) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is N-butan-2-yl-N-methyl-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-butan-2-yl-N-methyl-4-thiophen-2-ylbutanamide
PubChem CID78854172
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC NameN-butan-2-yl-N-methyl-4-thiophen-2-ylbutanamide
SMILESCCC(C)N(C)C(=O)CCCc1cccs1
InChIInChI=1S/C13H21NOS/c1-4-11(2)14(3)13(15)9-5-7-12-8-6-10-16-12/h6,8,10-11H,4-5,7,9H2,1-3H3
InChIKeyHWTYUNKDRQYUAY-UHFFFAOYSA-N
XLogP3.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-thiophen-2-ylbutanamide
CID 134054458
(2S)-3-methyl-2-[methyl-(5-sulfanylidene-8-thiophen-2-yloctanoyl)amino]butanoic acid
CID 158339018
3-amino-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)propanamide
CID 79494414
N-(2-chloroethyl)-N-pentan-3-yl-4-thiophen-2-ylbutanamide
CID 55186305
3-[propan-2-yl(4-thiophen-2-ylbutanoyl)amino]propanoic acid
CID 60831568
2-[2-methylpropyl(4-thiophen-2-ylbutanoyl)amino]acetic acid
CID 55135864
N-(2-cyanopropyl)-N-ethyl-4-thiophen-2-ylbutanamide
CID 54979623
2-[ethyl(4-thiophen-2-ylbutanoyl)amino]-2-methylpropanoic acid
CID 55123769
4-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)butanamide
CID 63308182
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-thiophen-2-ylbutanamide
CID 79652321
ethyl 2-(4-thiophen-2-ylbutanoylamino)propanoate
CID 61343312
N-methyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 110733634

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-methyl-4-thiophen-2-ylbutanamide?
The IUPAC name of N-butan-2-yl-N-methyl-4-thiophen-2-ylbutanamide (CID 78854172) is N-butan-2-yl-N-methyl-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-butan-2-yl-N-methyl-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-butan-2-yl-N-methyl-4-thiophen-2-ylbutanamide is CCC(C)N(C)C(=O)CCCc1cccs1.
What is the InChIKey of N-butan-2-yl-N-methyl-4-thiophen-2-ylbutanamide?
The InChIKey is HWTYUNKDRQYUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-4-11(2)14(3)13(15)9-5-7-12-8-6-10-16-12/h6,8,10-11H,4-5,7,9H2,1-3H3.
What are the key properties of N-butan-2-yl-N-methyl-4-thiophen-2-ylbutanamide?
N-butan-2-yl-N-methyl-4-thiophen-2-ylbutanamide has a molecular weight of 239.38 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-butan-2-yl-N-methyl-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 78854172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).