4-(methylamino)-N-(2-methyl-3-methylsulfanylpropyl)benzamide

C13H20N2OS — CID 63961042

IUPAC4-(methylamino)-N-(2-methyl-3-methylsulfanylpropyl)benzamide
SMILESCNc1ccc(C(=O)NCC(C)CSC)cc1
InChIInChI=1S/C13H20N2OS/c1-10(9-17-3)8-15-13(16)11-4-6-12(14-2)7-5-11/h4-7,10,14H,8-9H2,1-3H3,(H,15,16)
InChIKeyKPYQWWMBBFWBBF-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.46
Rot. Bonds6

About 4-(methylamino)-N-(2-methyl-3-methylsulfanylpropyl)benzamide

4-(methylamino)-N-(2-methyl-3-methylsulfanylpropyl)benzamide (PubChem CID 63961042) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 4-(methylamino)-N-(2-methyl-3-methylsulfanylpropyl)benzamide.

Molecular Properties

Compound Name4-(methylamino)-N-(2-methyl-3-methylsulfanylpropyl)benzamide
PubChem CID63961042
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name4-(methylamino)-N-(2-methyl-3-methylsulfanylpropyl)benzamide
SMILESCNc1ccc(C(=O)NCC(C)CSC)cc1
InChIInChI=1S/C13H20N2OS/c1-10(9-17-3)8-15-13(16)11-4-6-12(14-2)7-5-11/h4-7,10,14H,8-9H2,1-3H3,(H,15,16)
InChIKeyKPYQWWMBBFWBBF-UHFFFAOYSA-N
XLogP2.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(acetamidomethyl)-N-[(2R)-2-methyl-3-methylsulfanylpropyl]benzamide
CID 97213094
3-(methylamino)-N-(2-methyl-3-methylsulfanylpropyl)-4-nitrobenzamide
CID 63962522
3-amino-4-chloro-N-(2-methyl-3-methylsulfanylpropyl)benzamide
CID 63982617
4-(methylamino)-N-(4-methylsulfanylbutyl)benzamide
CID 113488238
3-amino-N-(2-methyl-3-methylsulfanylpropyl)benzamide
CID 63981976
N-(3-hydroxy-2-methylpropyl)-4-(methylsulfanylmethyl)benzamide
CID 65031383
6-(ethylamino)-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-carboxamide
CID 63963593
3-amino-4-methoxy-N-(2-methyl-3-methylsulfanylpropyl)benzamide
CID 63982400
2-bromo-N-(2-methyl-3-methylsulfanylpropyl)pyridine-4-carboxamide
CID 103755339
4-methyl-N-[2-methyl-3-(methylamino)propyl]benzamide
CID 81479378
3-(methylamino)-N-(2-methyl-3-methylsulfanylpropyl)pyridine-4-carboxamide
CID 105070238
(E)-3-[2-methyl-5-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]phenyl]prop-2-enoic acid
CID 81475619

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-(2-methyl-3-methylsulfanylpropyl)benzamide?
The IUPAC name of 4-(methylamino)-N-(2-methyl-3-methylsulfanylpropyl)benzamide (CID 63961042) is 4-(methylamino)-N-(2-methyl-3-methylsulfanylpropyl)benzamide.
What is the SMILES notation for 4-(methylamino)-N-(2-methyl-3-methylsulfanylpropyl)benzamide?
The canonical SMILES for 4-(methylamino)-N-(2-methyl-3-methylsulfanylpropyl)benzamide is CNc1ccc(C(=O)NCC(C)CSC)cc1.
What is the InChIKey of 4-(methylamino)-N-(2-methyl-3-methylsulfanylpropyl)benzamide?
The InChIKey is KPYQWWMBBFWBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-10(9-17-3)8-15-13(16)11-4-6-12(14-2)7-5-11/h4-7,10,14H,8-9H2,1-3H3,(H,15,16).
What are the key properties of 4-(methylamino)-N-(2-methyl-3-methylsulfanylpropyl)benzamide?
4-(methylamino)-N-(2-methyl-3-methylsulfanylpropyl)benzamide has a molecular weight of 252.38 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-(2-methyl-3-methylsulfanylpropyl)benzamide is sourced from PubChem (CID 63961042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).