4-(aminomethyl)-N-[(1-phenylsulfanylcyclopentyl)methyl]benzamide

C20H24N2OS — CID 119323030

IUPAC4-(aminomethyl)-N-[(1-phenylsulfanylcyclopentyl)methyl]benzamide
SMILESNCc1ccc(C(=O)NCC2(Sc3ccccc3)CCCC2)cc1
InChIInChI=1S/C20H24N2OS/c21-14-16-8-10-17(11-9-16)19(23)22-15-20(12-4-5-13-20)24-18-6-2-1-3-7-18/h1-3,6-11H,4-5,12-15,21H2,(H,22,23)
InChIKeyYIVKXJQOLYYQID-UHFFFAOYSA-N
MW340.49 g/mol
LogP3.98
Rot. Bonds6

About 4-(aminomethyl)-N-[(1-phenylsulfanylcyclopentyl)methyl]benzamide

4-(aminomethyl)-N-[(1-phenylsulfanylcyclopentyl)methyl]benzamide (PubChem CID 119323030) has the molecular formula C20H24N2OS and a molecular weight of 340.49 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(1-phenylsulfanylcyclopentyl)methyl]benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(1-phenylsulfanylcyclopentyl)methyl]benzamide
PubChem CID119323030
Molecular FormulaC20H24N2OS
Molecular Weight340.49 g/mol
Exact Mass340.16
IUPAC Name4-(aminomethyl)-N-[(1-phenylsulfanylcyclopentyl)methyl]benzamide
SMILESNCc1ccc(C(=O)NCC2(Sc3ccccc3)CCCC2)cc1
InChIInChI=1S/C20H24N2OS/c21-14-16-8-10-17(11-9-16)19(23)22-15-20(12-4-5-13-20)24-18-6-2-1-3-7-18/h1-3,6-11H,4-5,12-15,21H2,(H,22,23)
InChIKeyYIVKXJQOLYYQID-UHFFFAOYSA-N
XLogP3.98
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-[(1-phenylsulfanylcyclopentyl)methyl]benzamide;hydrochloride
CID 119323029
1-amino-N-[(1-phenylsulfanylcyclopentyl)methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119782632
1-amino-N-[(1-phenylsulfanylcyclopropyl)methyl]cyclopentane-1-carboxamide
CID 119323183
1-[[[4-(aminomethyl)benzoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115433634
1-amino-N-[(1-phenylsulfanylcyclopropyl)methyl]cyclohexane-1-carboxamide
CID 119323193
4-(aminomethyl)-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 82546336
4-amino-N-[(1-phenylsulfanylcyclopentyl)methyl]butanamide
CID 119323040
4-(aminomethyl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzamide
CID 119332535
4-(bromomethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]benzamide
CID 114115857
4-(aminomethyl)-N-[(1-propylcyclopropyl)methyl]benzamide;hydrochloride
CID 119345529
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[(1-phenylsulfanylcyclopropyl)methyl]urea
CID 111618857
4-(methylamino)-N-[(1-phenylsulfanylcyclopentyl)methyl]butanamide
CID 119782643

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(1-phenylsulfanylcyclopentyl)methyl]benzamide?
The IUPAC name of 4-(aminomethyl)-N-[(1-phenylsulfanylcyclopentyl)methyl]benzamide (CID 119323030) is 4-(aminomethyl)-N-[(1-phenylsulfanylcyclopentyl)methyl]benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-[(1-phenylsulfanylcyclopentyl)methyl]benzamide?
The canonical SMILES for 4-(aminomethyl)-N-[(1-phenylsulfanylcyclopentyl)methyl]benzamide is NCc1ccc(C(=O)NCC2(Sc3ccccc3)CCCC2)cc1.
What is the InChIKey of 4-(aminomethyl)-N-[(1-phenylsulfanylcyclopentyl)methyl]benzamide?
The InChIKey is YIVKXJQOLYYQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2OS/c21-14-16-8-10-17(11-9-16)19(23)22-15-20(12-4-5-13-20)24-18-6-2-1-3-7-18/h1-3,6-11H,4-5,12-15,21H2,(H,22,23).
What are the key properties of 4-(aminomethyl)-N-[(1-phenylsulfanylcyclopentyl)methyl]benzamide?
4-(aminomethyl)-N-[(1-phenylsulfanylcyclopentyl)methyl]benzamide has a molecular weight of 340.49 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(1-phenylsulfanylcyclopentyl)methyl]benzamide is sourced from PubChem (CID 119323030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).