N-methyl-N-(4-methylphenyl)-2-thiophen-2-ylbutanamide

C16H19NOS — CID 71131185

IUPACN-methyl-N-(4-methylphenyl)-2-thiophen-2-ylbutanamide
SMILESCCC(C(=O)N(C)c1ccc(C)cc1)c1cccs1
InChIInChI=1S/C16H19NOS/c1-4-14(15-6-5-11-19-15)16(18)17(3)13-9-7-12(2)8-10-13/h5-11,14H,4H2,1-3H3
InChIKeyOBMLYLTZYSKSIP-UHFFFAOYSA-N
MW273.40 g/mol
LogP4.21
Rot. Bonds4

About N-methyl-N-(4-methylphenyl)-2-thiophen-2-ylbutanamide

N-methyl-N-(4-methylphenyl)-2-thiophen-2-ylbutanamide (PubChem CID 71131185) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is N-methyl-N-(4-methylphenyl)-2-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-methyl-N-(4-methylphenyl)-2-thiophen-2-ylbutanamide
PubChem CID71131185
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC NameN-methyl-N-(4-methylphenyl)-2-thiophen-2-ylbutanamide
SMILESCCC(C(=O)N(C)c1ccc(C)cc1)c1cccs1
InChIInChI=1S/C16H19NOS/c1-4-14(15-6-5-11-19-15)16(18)17(3)13-9-7-12(2)8-10-13/h5-11,14H,4H2,1-3H3
InChIKeyOBMLYLTZYSKSIP-UHFFFAOYSA-N
XLogP4.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-thiophen-2-ylbutanoic acid;hydrochloride
CID 141021688
methyl 2-[methyl-(4-methylphenyl)carbamoyl]butanoate
CID 115187857
[2-(N-methylanilino)-2-oxoethyl]-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]azanium
CID 8866978
3-chloro-N,2-dimethyl-N-(4-methylphenyl)propanamide
CID 62726677
2-amino-N-(4-cyanophenyl)-N-methyl-2-thiophen-2-ylacetamide
CID 115287216
2-[[methyl(pentan-3-yl)carbamoyl]amino]-2-thiophen-2-ylacetic acid
CID 115285250
4-[methyl(1-thiophen-2-ylethyl)amino]pentanoic acid
CID 62214541
2-amino-N-methyl-2-(4-methylphenyl)-N-(1-thiophen-2-ylpropan-2-yl)acetamide
CID 106312517
3,3-dimethyl-2-[methyl-(4-methylphenyl)carbamoyl]butanoic acid
CID 116537045
4-[methyl(1-thiophen-2-ylethyl)amino]pentan-2-one
CID 64696669
2-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-thiophen-2-ylacetamide
CID 115286550
2-amino-N-(4-methylphenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 39360719

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methylphenyl)-2-thiophen-2-ylbutanamide?
The IUPAC name of N-methyl-N-(4-methylphenyl)-2-thiophen-2-ylbutanamide (CID 71131185) is N-methyl-N-(4-methylphenyl)-2-thiophen-2-ylbutanamide.
What is the SMILES notation for N-methyl-N-(4-methylphenyl)-2-thiophen-2-ylbutanamide?
The canonical SMILES for N-methyl-N-(4-methylphenyl)-2-thiophen-2-ylbutanamide is CCC(C(=O)N(C)c1ccc(C)cc1)c1cccs1.
What is the InChIKey of N-methyl-N-(4-methylphenyl)-2-thiophen-2-ylbutanamide?
The InChIKey is OBMLYLTZYSKSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c1-4-14(15-6-5-11-19-15)16(18)17(3)13-9-7-12(2)8-10-13/h5-11,14H,4H2,1-3H3.
What are the key properties of N-methyl-N-(4-methylphenyl)-2-thiophen-2-ylbutanamide?
N-methyl-N-(4-methylphenyl)-2-thiophen-2-ylbutanamide has a molecular weight of 273.40 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methylphenyl)-2-thiophen-2-ylbutanamide is sourced from PubChem (CID 71131185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).