N-cyclopropyl-4-(3-methylsulfanylpropylamino)benzamide

C14H20N2OS — CID 43687486

IUPACN-cyclopropyl-4-(3-methylsulfanylpropylamino)benzamide
SMILESCSCCCNc1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C14H20N2OS/c1-18-10-2-9-15-12-5-3-11(4-6-12)14(17)16-13-7-8-13/h3-6,13,15H,2,7-10H2,1H3,(H,16,17)
InChIKeyAOMQCUFKMFAYHQ-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.74
Rot. Bonds7

About N-cyclopropyl-4-(3-methylsulfanylpropylamino)benzamide

N-cyclopropyl-4-(3-methylsulfanylpropylamino)benzamide (PubChem CID 43687486) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is N-cyclopropyl-4-(3-methylsulfanylpropylamino)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(3-methylsulfanylpropylamino)benzamide
PubChem CID43687486
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC NameN-cyclopropyl-4-(3-methylsulfanylpropylamino)benzamide
SMILESCSCCCNc1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C14H20N2OS/c1-18-10-2-9-15-12-5-3-11(4-6-12)14(17)16-13-7-8-13/h3-6,13,15H,2,7-10H2,1H3,(H,16,17)
InChIKeyAOMQCUFKMFAYHQ-UHFFFAOYSA-N
XLogP2.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.74
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

N-cyclopropyl-4-(pentylamino)benzamide
CID 43687480
N-cyclobutyl-4-(propylamino)benzamide
CID 55067083
N-cyclooctyl-4-(propylamino)benzamide
CID 62172072
N-cyclopropyl-4-(methylamino)benzamide
CID 62170956
4-(4-methylsulfanylbutylamino)benzamide
CID 103087176
N-cyclopropyl-4-(2,2-dimethoxyethylamino)benzamide
CID 63698290
N-(3-methylcyclopentyl)-4-(propylamino)benzamide
CID 114540645
1-methyl-3-[4-(3-methylsulfanylpropylamino)phenyl]urea
CID 43744307
N-cyclopropyl-4-[[2-(hydroxymethyl)-2-methylbutyl]amino]benzamide
CID 81413351
N-cyclopropyl-4-(cyclopropylcarbamoylamino)benzamide
CID 17180568
1-N-cyclopropyl-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109043370
N-[4-(methylamino)cyclohexyl]-4-methylsulfanylbenzamide
CID 79217136

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(3-methylsulfanylpropylamino)benzamide?
The IUPAC name of N-cyclopropyl-4-(3-methylsulfanylpropylamino)benzamide (CID 43687486) is N-cyclopropyl-4-(3-methylsulfanylpropylamino)benzamide.
What is the SMILES notation for N-cyclopropyl-4-(3-methylsulfanylpropylamino)benzamide?
The canonical SMILES for N-cyclopropyl-4-(3-methylsulfanylpropylamino)benzamide is CSCCCNc1ccc(C(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-4-(3-methylsulfanylpropylamino)benzamide?
The InChIKey is AOMQCUFKMFAYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-18-10-2-9-15-12-5-3-11(4-6-12)14(17)16-13-7-8-13/h3-6,13,15H,2,7-10H2,1H3,(H,16,17).
What are the key properties of N-cyclopropyl-4-(3-methylsulfanylpropylamino)benzamide?
N-cyclopropyl-4-(3-methylsulfanylpropylamino)benzamide has a molecular weight of 264.39 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(3-methylsulfanylpropylamino)benzamide is sourced from PubChem (CID 43687486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).