3-methyl-N-[(5-methylthiophen-2-yl)methyl]butanamide

C11H17NOS — CID 110733947

IUPAC3-methyl-N-[(5-methylthiophen-2-yl)methyl]butanamide
SMILESCc1ccc(CNC(=O)CC(C)C)s1
InChIInChI=1S/C11H17NOS/c1-8(2)6-11(13)12-7-10-5-4-9(3)14-10/h4-5,8H,6-7H2,1-3H3,(H,12,13)
InChIKeyCVJGDXJBVUACQE-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.72
Rot. Bonds4

About 3-methyl-N-[(5-methylthiophen-2-yl)methyl]butanamide

3-methyl-N-[(5-methylthiophen-2-yl)methyl]butanamide (PubChem CID 110733947) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 3-methyl-N-[(5-methylthiophen-2-yl)methyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[(5-methylthiophen-2-yl)methyl]butanamide
PubChem CID110733947
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name3-methyl-N-[(5-methylthiophen-2-yl)methyl]butanamide
SMILESCc1ccc(CNC(=O)CC(C)C)s1
InChIInChI=1S/C11H17NOS/c1-8(2)6-11(13)12-7-10-5-4-9(3)14-10/h4-5,8H,6-7H2,1-3H3,(H,12,13)
InChIKeyCVJGDXJBVUACQE-UHFFFAOYSA-N
XLogP2.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 130685032
N-[(5-methylthiophen-2-yl)methyl]-3-(propan-2-ylamino)propanamide
CID 62058099
3-methyl-N-[(5-phenylthiophen-2-yl)methyl]butanamide
CID 110292483
2-methoxy-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 60776039
methyl 4-[(5-methylthiophen-2-yl)methylamino]-4-oxobutanoate
CID 110733948
2-(4-aminophenyl)-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 62055681
3-methyl-N-[3-[[[N'-methyl-N-[(5-methylthiophen-2-yl)methyl]carbamimidoyl]amino]methyl]phenyl]butanamide
CID 111898179
N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-methylbutanamide
CID 72717480
(2S)-2-ethoxy-N-[(5-methylthiophen-2-yl)methyl]propanamide
CID 94824862
(2S)-2-amino-3,3-dimethyl-N-[(5-methylthiophen-2-yl)methyl]butanamide;hydrochloride
CID 119709408
2-(2-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 47043670
7-amino-N-[(5-methylthiophen-2-yl)methyl]heptanamide
CID 55029800

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(5-methylthiophen-2-yl)methyl]butanamide?
The IUPAC name of 3-methyl-N-[(5-methylthiophen-2-yl)methyl]butanamide (CID 110733947) is 3-methyl-N-[(5-methylthiophen-2-yl)methyl]butanamide.
What is the SMILES notation for 3-methyl-N-[(5-methylthiophen-2-yl)methyl]butanamide?
The canonical SMILES for 3-methyl-N-[(5-methylthiophen-2-yl)methyl]butanamide is Cc1ccc(CNC(=O)CC(C)C)s1.
What is the InChIKey of 3-methyl-N-[(5-methylthiophen-2-yl)methyl]butanamide?
The InChIKey is CVJGDXJBVUACQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-8(2)6-11(13)12-7-10-5-4-9(3)14-10/h4-5,8H,6-7H2,1-3H3,(H,12,13).
What are the key properties of 3-methyl-N-[(5-methylthiophen-2-yl)methyl]butanamide?
3-methyl-N-[(5-methylthiophen-2-yl)methyl]butanamide has a molecular weight of 211.33 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(5-methylthiophen-2-yl)methyl]butanamide is sourced from PubChem (CID 110733947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).