4-(4-methoxyphenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentanamide

C16H26N2O2S — CID 64711066

IUPAC4-(4-methoxyphenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentanamide
SMILESCOc1ccc(SC(C)CC(C)(NC(C)C)C(N)=O)cc1
InChIInChI=1S/C16H26N2O2S/c1-11(2)18-16(4,15(17)19)10-12(3)21-14-8-6-13(20-5)7-9-14/h6-9,11-12,18H,10H2,1-5H3,(H2,17,19)
InChIKeyLCNBRBVOFHSKFD-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.81
Rot. Bonds8

About 4-(4-methoxyphenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentanamide

4-(4-methoxyphenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentanamide (PubChem CID 64711066) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentanamide.

Molecular Properties

Compound Name4-(4-methoxyphenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentanamide
PubChem CID64711066
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name4-(4-methoxyphenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentanamide
SMILESCOc1ccc(SC(C)CC(C)(NC(C)C)C(N)=O)cc1
InChIInChI=1S/C16H26N2O2S/c1-11(2)18-16(4,15(17)19)10-12(3)21-14-8-6-13(20-5)7-9-14/h6-9,11-12,18H,10H2,1-5H3,(H2,17,19)
InChIKeyLCNBRBVOFHSKFD-UHFFFAOYSA-N
XLogP2.81
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-(propan-2-ylamino)-4-pyridin-2-ylsulfanylpentanamide
CID 64709128
2-(ethylamino)-2-methyl-4-(4-propan-2-ylphenyl)sulfanylpentanamide
CID 64711254
4-(4-methoxyphenyl)sulfanylpentanehydrazide
CID 63580974
4-(4-fluorophenoxy)-2-methyl-2-(propan-2-ylamino)pentanamide
CID 64706234
2-methyl-2-(propan-2-ylamino)-4-pyrazin-2-ylsulfanylpentanamide
CID 64704753
4-(4-methoxyphenoxy)-2-methyl-2-(methylamino)pentanamide
CID 64705841
3-(4-methoxyphenyl)sulfanylbutanimidamide
CID 60913001
4-(4-methoxyphenyl)sulfanyl-2-methyl-2-(methylamino)pentanenitrile
CID 64710362
2-(6-methoxynaphthalen-2-yl)-2-(propan-2-ylamino)propanamide
CID 60788360
methyl 4-(3-bromophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentanoate
CID 64704927
methyl 2-amino-2-methyl-4-(4-methylphenyl)sulfanylpentanoate
CID 64709686
N-(2-amino-2-methylpropyl)-2-(4-methoxyphenyl)sulfanylpropanamide;hydrochloride
CID 119625878

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentanamide?
The IUPAC name of 4-(4-methoxyphenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentanamide (CID 64711066) is 4-(4-methoxyphenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentanamide.
What is the SMILES notation for 4-(4-methoxyphenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentanamide?
The canonical SMILES for 4-(4-methoxyphenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentanamide is COc1ccc(SC(C)CC(C)(NC(C)C)C(N)=O)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentanamide?
The InChIKey is LCNBRBVOFHSKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-11(2)18-16(4,15(17)19)10-12(3)21-14-8-6-13(20-5)7-9-14/h6-9,11-12,18H,10H2,1-5H3,(H2,17,19).
What are the key properties of 4-(4-methoxyphenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentanamide?
4-(4-methoxyphenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentanamide has a molecular weight of 310.46 g/mol, XLogP of 2.81, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentanamide is sourced from PubChem (CID 64711066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).