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

C11H17NOS — CID 60651297

IUPACN-methyl-N-[(3-methylthiophen-2-yl)methyl]butanamide
SMILESCCCC(=O)N(C)Cc1sccc1C
InChIInChI=1S/C11H17NOS/c1-4-5-11(13)12(3)8-10-9(2)6-7-14-10/h6-7H,4-5,8H2,1-3H3
InChIKeyFFMRAIVKJNVPNX-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.82
Rot. Bonds4

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

N-methyl-N-[(3-methylthiophen-2-yl)methyl]butanamide (PubChem CID 60651297) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is N-methyl-N-[(3-methylthiophen-2-yl)methyl]butanamide.

Molecular Properties

Compound NameN-methyl-N-[(3-methylthiophen-2-yl)methyl]butanamide
PubChem CID60651297
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC NameN-methyl-N-[(3-methylthiophen-2-yl)methyl]butanamide
SMILESCCCC(=O)N(C)Cc1sccc1C
InChIInChI=1S/C11H17NOS/c1-4-5-11(13)12(3)8-10-9(2)6-7-14-10/h6-7H,4-5,8H2,1-3H3
InChIKeyFFMRAIVKJNVPNX-UHFFFAOYSA-N
XLogP2.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-sulfanylpropanamide
CID 115167982
3-hydroxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 115139250
4-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]butanamide
CID 60939275
2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 60718810
4-hydroxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]pentanamide
CID 79200842
N,3,3-trimethyl-N-[(3-methylthiophen-2-yl)methyl]butanamide
CID 51073057
6-amino-N,4,4-trimethyl-N-[(3-methylthiophen-2-yl)methyl]hexanamide
CID 65290725
4-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-phenylbutanamide
CID 63324337
1,3-dimethyl-1-[(3-methylthiophen-2-yl)methyl]urea
CID 115169307
3-(4-chlorophenyl)sulfonyl-N-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 9020428
1-(3-methylthiophen-2-yl)heptan-4-one
CID 83929160
2-(4-ethoxyphenyl)sulfanyl-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 78794262

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-methylthiophen-2-yl)methyl]butanamide?
The IUPAC name of N-methyl-N-[(3-methylthiophen-2-yl)methyl]butanamide (CID 60651297) is N-methyl-N-[(3-methylthiophen-2-yl)methyl]butanamide.
What is the SMILES notation for N-methyl-N-[(3-methylthiophen-2-yl)methyl]butanamide?
The canonical SMILES for N-methyl-N-[(3-methylthiophen-2-yl)methyl]butanamide is CCCC(=O)N(C)Cc1sccc1C.
What is the InChIKey of N-methyl-N-[(3-methylthiophen-2-yl)methyl]butanamide?
The InChIKey is FFMRAIVKJNVPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-4-5-11(13)12(3)8-10-9(2)6-7-14-10/h6-7H,4-5,8H2,1-3H3.
What are the key properties of N-methyl-N-[(3-methylthiophen-2-yl)methyl]butanamide?
N-methyl-N-[(3-methylthiophen-2-yl)methyl]butanamide has a molecular weight of 211.33 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-methylthiophen-2-yl)methyl]butanamide is sourced from PubChem (CID 60651297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).