N-(2-methylsulfanylethyl)-2-(propan-2-ylamino)benzamide

C13H20N2OS — CID 63957461

IUPACN-(2-methylsulfanylethyl)-2-(propan-2-ylamino)benzamide
SMILESCSCCNC(=O)c1ccccc1NC(C)C
InChIInChI=1S/C13H20N2OS/c1-10(2)15-12-7-5-4-6-11(12)13(16)14-8-9-17-3/h4-7,10,15H,8-9H2,1-3H3,(H,14,16)
InChIKeyQLMKFYUHJFHWTB-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.60
Rot. Bonds6

About N-(2-methylsulfanylethyl)-2-(propan-2-ylamino)benzamide

N-(2-methylsulfanylethyl)-2-(propan-2-ylamino)benzamide (PubChem CID 63957461) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is N-(2-methylsulfanylethyl)-2-(propan-2-ylamino)benzamide.

Molecular Properties

Compound NameN-(2-methylsulfanylethyl)-2-(propan-2-ylamino)benzamide
PubChem CID63957461
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC NameN-(2-methylsulfanylethyl)-2-(propan-2-ylamino)benzamide
SMILESCSCCNC(=O)c1ccccc1NC(C)C
InChIInChI=1S/C13H20N2OS/c1-10(2)15-12-7-5-4-6-11(12)13(16)14-8-9-17-3/h4-7,10,15H,8-9H2,1-3H3,(H,14,16)
InChIKeyQLMKFYUHJFHWTB-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(propan-2-ylamino)-N-propylbenzamide
CID 63107529
N-ethyl-2-(propan-2-ylamino)benzamide
CID 63107552
N-(3-aminopropyl)-2-(propan-2-ylamino)benzamide
CID 63107952
N-(4-amino-4-oxobutyl)-2-(propan-2-ylamino)benzamide
CID 63107810
methyl 3-[[2-(propan-2-ylamino)benzoyl]amino]propanoate
CID 63108007
N-[2-[ethyl(methyl)amino]ethyl]-2-(propan-2-ylamino)benzamide
CID 63108506
2-bromo-N-(2-methylsulfanylethyl)benzamide
CID 51889373
2-(propan-2-ylamino)-N-prop-2-enylbenzamide
CID 63101364
N-[2-(ethylsulfamoyl)ethyl]-2-(propan-2-ylamino)benzamide
CID 106340243
N-(cyclopropylmethyl)-2-(propan-2-ylamino)benzamide
CID 63107544
N-(4-hydroxy-2-methylbutyl)-2-(propan-2-ylamino)benzamide
CID 66109306
N-(3-amino-2-hydroxy-3-oxopropyl)-2-(propan-2-ylamino)benzamide
CID 106177055

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylethyl)-2-(propan-2-ylamino)benzamide?
The IUPAC name of N-(2-methylsulfanylethyl)-2-(propan-2-ylamino)benzamide (CID 63957461) is N-(2-methylsulfanylethyl)-2-(propan-2-ylamino)benzamide.
What is the SMILES notation for N-(2-methylsulfanylethyl)-2-(propan-2-ylamino)benzamide?
The canonical SMILES for N-(2-methylsulfanylethyl)-2-(propan-2-ylamino)benzamide is CSCCNC(=O)c1ccccc1NC(C)C.
What is the InChIKey of N-(2-methylsulfanylethyl)-2-(propan-2-ylamino)benzamide?
The InChIKey is QLMKFYUHJFHWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-10(2)15-12-7-5-4-6-11(12)13(16)14-8-9-17-3/h4-7,10,15H,8-9H2,1-3H3,(H,14,16).
What are the key properties of N-(2-methylsulfanylethyl)-2-(propan-2-ylamino)benzamide?
N-(2-methylsulfanylethyl)-2-(propan-2-ylamino)benzamide has a molecular weight of 252.38 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylethyl)-2-(propan-2-ylamino)benzamide is sourced from PubChem (CID 63957461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).