N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-2-methylsulfanylbenzamide

C22H28N2OS — CID 11537937

IUPACN-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)NC(c1ccccc1)C1(N(C)C)CCCC1
InChIInChI=1S/C22H28N2OS/c1-24(2)22(15-9-10-16-22)20(17-11-5-4-6-12-17)23-21(25)18-13-7-8-14-19(18)26-3/h4-8,11-14,20H,9-10,15-16H2,1-3H3,(H,23,25)
InChIKeyFXOIRSHTSKUCHZ-UHFFFAOYSA-N
MW368.55 g/mol
LogP4.75
Rot. Bonds6

About N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-2-methylsulfanylbenzamide

N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-2-methylsulfanylbenzamide (PubChem CID 11537937) has the molecular formula C22H28N2OS and a molecular weight of 368.55 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-2-methylsulfanylbenzamide
PubChem CID11537937
Molecular FormulaC22H28N2OS
Molecular Weight368.55 g/mol
Exact Mass368.19
IUPAC NameN-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)NC(c1ccccc1)C1(N(C)C)CCCC1
InChIInChI=1S/C22H28N2OS/c1-24(2)22(15-9-10-16-22)20(17-11-5-4-6-12-17)23-21(25)18-13-7-8-14-19(18)26-3/h4-8,11-14,20H,9-10,15-16H2,1-3H3,(H,23,25)
InChIKeyFXOIRSHTSKUCHZ-UHFFFAOYSA-N
XLogP4.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.55
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]quinoline-4-carboxamide
CID 11516293
6-chloro-N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]naphthalene-1-carboxamide
CID 11711197
2,3,6-trichloro-N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]benzamide
CID 59347870
3,5-dichloro-N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-2-methoxybenzamide
CID 11539036
N-(2,2-dimethyl-1-phenylpropyl)-2-methylsulfanylbenzamide
CID 112820701
N-[[1-(dimethylamino)cyclobutyl]-phenylmethyl]-2-methoxy-6-methylsulfanyl-4-(trifluoromethyl)benzamide
CID 46179331
N-[[1-(dimethylamino)cyclohexyl]-phenylmethyl]-2-(trifluoromethyl)quinoline-4-carboxamide
CID 11576123
N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-2,2-dimethyl-1,3-benzodioxole-5-carboxamide
CID 11654079
N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 23728869
N-[[1-(dimethylamino)cyclopentyl]-(4-fluorophenyl)methyl]-2,6-dimethylbenzamide
CID 11646365
N-[(4-chlorophenyl)-[1-(dimethylamino)cyclopentyl]methyl]-2,6-dimethylbenzamide
CID 11689547
N-[[1-[iodomethyl(methyl)amino]cyclopentyl]-phenylmethyl]-2,6-dimethylbenzamide
CID 89169823

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-2-methylsulfanylbenzamide?
The IUPAC name of N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-2-methylsulfanylbenzamide (CID 11537937) is N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-2-methylsulfanylbenzamide.
What is the SMILES notation for N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-2-methylsulfanylbenzamide?
The canonical SMILES for N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-2-methylsulfanylbenzamide is CSc1ccccc1C(=O)NC(c1ccccc1)C1(N(C)C)CCCC1.
What is the InChIKey of N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-2-methylsulfanylbenzamide?
The InChIKey is FXOIRSHTSKUCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2OS/c1-24(2)22(15-9-10-16-22)20(17-11-5-4-6-12-17)23-21(25)18-13-7-8-14-19(18)26-3/h4-8,11-14,20H,9-10,15-16H2,1-3H3,(H,23,25).
What are the key properties of N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-2-methylsulfanylbenzamide?
N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-2-methylsulfanylbenzamide has a molecular weight of 368.55 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-2-methylsulfanylbenzamide is sourced from PubChem (CID 11537937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).