4-(aminomethyl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzamide

C19H24N2OS — CID 119332535

IUPAC4-(aminomethyl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzamide
SMILESNCc1ccc(C(=O)NCC2(c3cccs3)CCCCC2)cc1
InChIInChI=1S/C19H24N2OS/c20-13-15-6-8-16(9-7-15)18(22)21-14-19(10-2-1-3-11-19)17-5-4-12-23-17/h4-9,12H,1-3,10-11,13-14,20H2,(H,21,22)
InChIKeyBNQAWZXPUGLMSA-UHFFFAOYSA-N
MW328.48 g/mol
LogP3.84
Rot. Bonds5

About 4-(aminomethyl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzamide

4-(aminomethyl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzamide (PubChem CID 119332535) has the molecular formula C19H24N2OS and a molecular weight of 328.48 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzamide
PubChem CID119332535
Molecular FormulaC19H24N2OS
Molecular Weight328.48 g/mol
Exact Mass328.16
IUPAC Name4-(aminomethyl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzamide
SMILESNCc1ccc(C(=O)NCC2(c3cccs3)CCCCC2)cc1
InChIInChI=1S/C19H24N2OS/c20-13-15-6-8-16(9-7-15)18(22)21-14-19(10-2-1-3-11-19)17-5-4-12-23-17/h4-9,12H,1-3,10-11,13-14,20H2,(H,21,22)
InChIKeyBNQAWZXPUGLMSA-UHFFFAOYSA-N
XLogP3.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 82546336
1-[[[4-(aminomethyl)benzoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115433634
(2R)-2-amino-N-[(1-thiophen-2-ylcyclohexyl)methyl]propanamide
CID 119332541
4-phenyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide
CID 30943798
3-[[(1-thiophen-2-ylcyclohexyl)methylamino]methyl]benzoic acid
CID 122031530
7-amino-N-[(1-thiophen-2-ylcyclohexyl)methyl]heptanamide;hydrochloride
CID 119799163
1-(4-hydroxycyclohexyl)-3-[(1-thiophen-2-ylcyclohexyl)methyl]urea
CID 111440825
4-(aminomethyl)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]benzamide
CID 119317231
1-cyclohexyl-3-[(1-thiophen-2-ylcyclopropyl)methyl]urea
CID 30522444
4-(aminomethyl)-N-[(1-phenylsulfanylcyclopentyl)methyl]benzamide
CID 119323030
methyl N-[(1-thiophen-2-ylcyclopropyl)methyl]carbamate
CID 30522713
4-(aminomethyl)-N-[(1-phenylsulfanylcyclopentyl)methyl]benzamide;hydrochloride
CID 119323029

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzamide?
The IUPAC name of 4-(aminomethyl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzamide (CID 119332535) is 4-(aminomethyl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzamide?
The canonical SMILES for 4-(aminomethyl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzamide is NCc1ccc(C(=O)NCC2(c3cccs3)CCCCC2)cc1.
What is the InChIKey of 4-(aminomethyl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzamide?
The InChIKey is BNQAWZXPUGLMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2OS/c20-13-15-6-8-16(9-7-15)18(22)21-14-19(10-2-1-3-11-19)17-5-4-12-23-17/h4-9,12H,1-3,10-11,13-14,20H2,(H,21,22).
What are the key properties of 4-(aminomethyl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzamide?
4-(aminomethyl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzamide has a molecular weight of 328.48 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]benzamide is sourced from PubChem (CID 119332535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).