3-chloro-N-[(1S,3S)-3-ethylsulfanylcyclopentyl]-5-methoxy-4-(2-methylpropoxy)benzamide

C19H28ClNO3S — CID 95782555

IUPAC3-chloro-N-[(1S,3S)-3-ethylsulfanylcyclopentyl]-5-methoxy-4-(2-methylpropoxy)benzamide
SMILESCCS[C@H]1CC[C@H](NC(=O)c2cc(Cl)c(OCC(C)C)c(OC)c2)C1
InChIInChI=1S/C19H28ClNO3S/c1-5-25-15-7-6-14(10-15)21-19(22)13-8-16(20)18(17(9-13)23-4)24-11-12(2)3/h8-9,12,14-15H,5-7,10-11H2,1-4H3,(H,21,22)/t14-,15-/m0/s1
InChIKeyPEYPQVSPDYSGKM-GJZGRUSLSA-N
MW385.96 g/mol
LogP4.79
Rot. Bonds8

About 3-chloro-N-[(1S,3S)-3-ethylsulfanylcyclopentyl]-5-methoxy-4-(2-methylpropoxy)benzamide

3-chloro-N-[(1S,3S)-3-ethylsulfanylcyclopentyl]-5-methoxy-4-(2-methylpropoxy)benzamide (PubChem CID 95782555) has the molecular formula C19H28ClNO3S and a molecular weight of 385.96 g/mol. Its IUPAC name is 3-chloro-N-[(1S,3S)-3-ethylsulfanylcyclopentyl]-5-methoxy-4-(2-methylpropoxy)benzamide.

Molecular Properties

Compound Name3-chloro-N-[(1S,3S)-3-ethylsulfanylcyclopentyl]-5-methoxy-4-(2-methylpropoxy)benzamide
PubChem CID95782555
Molecular FormulaC19H28ClNO3S
Molecular Weight385.96 g/mol
Exact Mass385.15
IUPAC Name3-chloro-N-[(1S,3S)-3-ethylsulfanylcyclopentyl]-5-methoxy-4-(2-methylpropoxy)benzamide
SMILESCCS[C@H]1CC[C@H](NC(=O)c2cc(Cl)c(OCC(C)C)c(OC)c2)C1
InChIInChI=1S/C19H28ClNO3S/c1-5-25-15-7-6-14(10-15)21-19(22)13-8-16(20)18(17(9-13)23-4)24-11-12(2)3/h8-9,12,14-15H,5-7,10-11H2,1-4H3,(H,21,22)/t14-,15-/m0/s1
InChIKeyPEYPQVSPDYSGKM-GJZGRUSLSA-N
XLogP4.79
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.96
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-(4-hydroxycyclohexyl)-5-methoxy-4-(2-methylpropoxy)benzamide
CID 78767621
3-chloro-5-methoxy-N-(2-methylpiperidin-4-yl)-4-(2-methylpropoxy)benzamide
CID 120598880
3-chloro-5-methoxy-4-(2-methylpropoxy)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119450911
tert-butyl 4-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]piperidine-1-carboxylate
CID 55987274
3-chloro-N-[2-(cyclopropanecarbonylamino)ethyl]-5-methoxy-4-(2-methylpropoxy)benzamide
CID 51153085
N-(4-aminocyclohexyl)-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride
CID 119475170
2-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]acetate
CID 7994307
6-chloro-N-(3-ethylsulfanylcyclopentyl)pyridine-3-carboxamide
CID 103709555
3-chloro-N-[(2R)-2-(ethylamino)propyl]-5-methoxy-4-(2-methylpropoxy)benzamide
CID 120653783
5-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]pentanoic acid
CID 119234484
3-chloro-N'-(4-fluorobenzoyl)-5-methoxy-4-(2-methylpropoxy)benzohydrazide
CID 55333896
N-(4-aminocyclohexyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzamide;hydrochloride
CID 119477661

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1S,3S)-3-ethylsulfanylcyclopentyl]-5-methoxy-4-(2-methylpropoxy)benzamide?
The IUPAC name of 3-chloro-N-[(1S,3S)-3-ethylsulfanylcyclopentyl]-5-methoxy-4-(2-methylpropoxy)benzamide (CID 95782555) is 3-chloro-N-[(1S,3S)-3-ethylsulfanylcyclopentyl]-5-methoxy-4-(2-methylpropoxy)benzamide.
What is the SMILES notation for 3-chloro-N-[(1S,3S)-3-ethylsulfanylcyclopentyl]-5-methoxy-4-(2-methylpropoxy)benzamide?
The canonical SMILES for 3-chloro-N-[(1S,3S)-3-ethylsulfanylcyclopentyl]-5-methoxy-4-(2-methylpropoxy)benzamide is CCS[C@H]1CC[C@H](NC(=O)c2cc(Cl)c(OCC(C)C)c(OC)c2)C1.
What is the InChIKey of 3-chloro-N-[(1S,3S)-3-ethylsulfanylcyclopentyl]-5-methoxy-4-(2-methylpropoxy)benzamide?
The InChIKey is PEYPQVSPDYSGKM-GJZGRUSLSA-N. The full InChI is InChI=1S/C19H28ClNO3S/c1-5-25-15-7-6-14(10-15)21-19(22)13-8-16(20)18(17(9-13)23-4)24-11-12(2)3/h8-9,12,14-15H,5-7,10-11H2,1-4H3,(H,21,22)/t14-,15-/m0/s1.
What are the key properties of 3-chloro-N-[(1S,3S)-3-ethylsulfanylcyclopentyl]-5-methoxy-4-(2-methylpropoxy)benzamide?
3-chloro-N-[(1S,3S)-3-ethylsulfanylcyclopentyl]-5-methoxy-4-(2-methylpropoxy)benzamide has a molecular weight of 385.96 g/mol, XLogP of 4.79, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1S,3S)-3-ethylsulfanylcyclopentyl]-5-methoxy-4-(2-methylpropoxy)benzamide is sourced from PubChem (CID 95782555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).