5-methyl-2-(propylamino)-N-(thiophen-2-ylmethyl)benzamide

C16H20N2OS — CID 62510534

IUPAC5-methyl-2-(propylamino)-N-(thiophen-2-ylmethyl)benzamide
SMILESCCCNc1ccc(C)cc1C(=O)NCc1cccs1
InChIInChI=1S/C16H20N2OS/c1-3-8-17-15-7-6-12(2)10-14(15)16(19)18-11-13-5-4-9-20-13/h4-7,9-10,17H,3,8,11H2,1-2H3,(H,18,19)
InChIKeyDQDSBWSGGQJIDW-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.81
Rot. Bonds6

About 5-methyl-2-(propylamino)-N-(thiophen-2-ylmethyl)benzamide

5-methyl-2-(propylamino)-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 62510534) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 5-methyl-2-(propylamino)-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name5-methyl-2-(propylamino)-N-(thiophen-2-ylmethyl)benzamide
PubChem CID62510534
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name5-methyl-2-(propylamino)-N-(thiophen-2-ylmethyl)benzamide
SMILESCCCNc1ccc(C)cc1C(=O)NCc1cccs1
InChIInChI=1S/C16H20N2OS/c1-3-8-17-15-7-6-12(2)10-14(15)16(19)18-11-13-5-4-9-20-13/h4-7,9-10,17H,3,8,11H2,1-2H3,(H,18,19)
InChIKeyDQDSBWSGGQJIDW-UHFFFAOYSA-N
XLogP3.81
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 ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-2-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64523200
2-(ethylamino)-5-methyl-N-propylbenzamide
CID 62509654
N-[2-(furan-2-yl)ethyl]-5-methyl-2-(propylamino)benzamide
CID 62510582
2-(3-aminoprop-1-ynyl)-5-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 81111983
5-methyl-N-(3-methylsulfanylpropyl)-2-(propylamino)benzamide
CID 63962306
N-[3-(dimethylamino)propyl]-5-methyl-2-(propylamino)benzamide
CID 62510706
5-methyl-2-(propylamino)-N-(thiolan-2-ylmethyl)benzamide
CID 80586079
2-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 3580913
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(ethylamino)-5-methylbenzamide
CID 65245704
6-methyl-4-(propylamino)-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 81238896
5-methyl-N-(3-methylbutan-2-yl)-2-(propylamino)benzamide
CID 55083225
5-methyl-N-(oxolan-2-ylmethyl)-2-(propylamino)benzamide
CID 62509999

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(propylamino)-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 5-methyl-2-(propylamino)-N-(thiophen-2-ylmethyl)benzamide (CID 62510534) is 5-methyl-2-(propylamino)-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 5-methyl-2-(propylamino)-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 5-methyl-2-(propylamino)-N-(thiophen-2-ylmethyl)benzamide is CCCNc1ccc(C)cc1C(=O)NCc1cccs1.
What is the InChIKey of 5-methyl-2-(propylamino)-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is DQDSBWSGGQJIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-3-8-17-15-7-6-12(2)10-14(15)16(19)18-11-13-5-4-9-20-13/h4-7,9-10,17H,3,8,11H2,1-2H3,(H,18,19).
What are the key properties of 5-methyl-2-(propylamino)-N-(thiophen-2-ylmethyl)benzamide?
5-methyl-2-(propylamino)-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 288.42 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(propylamino)-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 62510534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).