4-(methylamino)-N-(1-thiophen-2-ylbutyl)benzamide

C16H20N2OS — CID 62173495

IUPAC4-(methylamino)-N-(1-thiophen-2-ylbutyl)benzamide
SMILESCCCC(NC(=O)c1ccc(NC)cc1)c1cccs1
InChIInChI=1S/C16H20N2OS/c1-3-5-14(15-6-4-11-20-15)18-16(19)12-7-9-13(17-2)10-8-12/h4,6-11,14,17H,3,5H2,1-2H3,(H,18,19)
InChIKeyGJVXRVDTIIDVAB-UHFFFAOYSA-N
MW288.42 g/mol
LogP4.06
Rot. Bonds6

About 4-(methylamino)-N-(1-thiophen-2-ylbutyl)benzamide

4-(methylamino)-N-(1-thiophen-2-ylbutyl)benzamide (PubChem CID 62173495) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 4-(methylamino)-N-(1-thiophen-2-ylbutyl)benzamide.

Molecular Properties

Compound Name4-(methylamino)-N-(1-thiophen-2-ylbutyl)benzamide
PubChem CID62173495
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name4-(methylamino)-N-(1-thiophen-2-ylbutyl)benzamide
SMILESCCCC(NC(=O)c1ccc(NC)cc1)c1cccs1
InChIInChI=1S/C16H20N2OS/c1-3-5-14(15-6-4-11-20-15)18-16(19)12-7-9-13(17-2)10-8-12/h4,6-11,14,17H,3,5H2,1-2H3,(H,18,19)
InChIKeyGJVXRVDTIIDVAB-UHFFFAOYSA-N
XLogP4.06
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-oxo-N-(1-thiophen-2-ylbutyl)-1H-pyridine-3-carboxamide
CID 61381400
6-bromo-N-(1-thiophen-2-ylbutyl)pyridine-3-carboxamide
CID 66464915
4-(1-methyl-6-oxo-3-pyridinyl)-N-(1-thiophen-2-ylbutyl)benzamide
CID 178026796
4-(1-methyl-6-oxopyridazin-3-yl)-N-[(1S)-1-thiophen-2-ylbutyl]benzamide
CID 125439641
N-(1-thiophen-2-ylbutyl)-1H-indazole-6-carboxamide
CID 62907370
3-oxo-3-(1-thiophen-2-ylbutylamino)propanoic acid
CID 62231148
2,2-difluoro-N-(1-thiophen-2-ylbutyl)acetamide
CID 103515707
5,6-dichloro-N-(1-thiophen-2-ylbutyl)pyridine-3-carboxamide
CID 61381170
N-[(1S)-1-thiophen-2-ylbutyl]hydroxylamine
CID 131230047
2-methyl-3-(methylamino)-N-(1-thiophen-2-ylbutyl)propanamide
CID 79203080
1-methyl-N-(1-thiophen-2-ylbutyl)benzotriazole-5-carboxamide
CID 56753214
2-bromo-N-(1-thiophen-2-ylbutyl)propanamide
CID 107904985

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-(1-thiophen-2-ylbutyl)benzamide?
The IUPAC name of 4-(methylamino)-N-(1-thiophen-2-ylbutyl)benzamide (CID 62173495) is 4-(methylamino)-N-(1-thiophen-2-ylbutyl)benzamide.
What is the SMILES notation for 4-(methylamino)-N-(1-thiophen-2-ylbutyl)benzamide?
The canonical SMILES for 4-(methylamino)-N-(1-thiophen-2-ylbutyl)benzamide is CCCC(NC(=O)c1ccc(NC)cc1)c1cccs1.
What is the InChIKey of 4-(methylamino)-N-(1-thiophen-2-ylbutyl)benzamide?
The InChIKey is GJVXRVDTIIDVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-3-5-14(15-6-4-11-20-15)18-16(19)12-7-9-13(17-2)10-8-12/h4,6-11,14,17H,3,5H2,1-2H3,(H,18,19).
What are the key properties of 4-(methylamino)-N-(1-thiophen-2-ylbutyl)benzamide?
4-(methylamino)-N-(1-thiophen-2-ylbutyl)benzamide has a molecular weight of 288.42 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-(1-thiophen-2-ylbutyl)benzamide is sourced from PubChem (CID 62173495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).