N-(2,4-dimethylphenyl)-2-[2-hydroxyethyl-[(3R)-thian-3-yl]amino]acetamide

C17H26N2O2S — CID 124726591

IUPACN-(2,4-dimethylphenyl)-2-[2-hydroxyethyl-[(3R)-thian-3-yl]amino]acetamide
SMILESCc1ccc(NC(=O)CN(CCO)[C@@H]2CCCSC2)c(C)c1
InChIInChI=1S/C17H26N2O2S/c1-13-5-6-16(14(2)10-13)18-17(21)11-19(7-8-20)15-4-3-9-22-12-15/h5-6,10,15,20H,3-4,7-9,11-12H2,1-2H3,(H,18,21)/t15-/m1/s1
InChIKeyCCWBMLKSILOSHK-OAHLLOKOSA-N
MW322.47 g/mol
LogP2.43
Rot. Bonds6

About N-(2,4-dimethylphenyl)-2-[2-hydroxyethyl-[(3R)-thian-3-yl]amino]acetamide

N-(2,4-dimethylphenyl)-2-[2-hydroxyethyl-[(3R)-thian-3-yl]amino]acetamide (PubChem CID 124726591) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-[2-hydroxyethyl-[(3R)-thian-3-yl]amino]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-[2-hydroxyethyl-[(3R)-thian-3-yl]amino]acetamide
PubChem CID124726591
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC NameN-(2,4-dimethylphenyl)-2-[2-hydroxyethyl-[(3R)-thian-3-yl]amino]acetamide
SMILESCc1ccc(NC(=O)CN(CCO)[C@@H]2CCCSC2)c(C)c1
InChIInChI=1S/C17H26N2O2S/c1-13-5-6-16(14(2)10-13)18-17(21)11-19(7-8-20)15-4-3-9-22-12-15/h5-6,10,15,20H,3-4,7-9,11-12H2,1-2H3,(H,18,21)/t15-/m1/s1
InChIKeyCCWBMLKSILOSHK-OAHLLOKOSA-N
XLogP2.43
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropyl(2-hydroxyethyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 60775079
3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-(2,4-dimethylphenyl)propanamide
CID 84567311
2-[cyclopentyl(2-hydroxyethyl)amino]-N-(2,3-dimethylphenyl)acetamide
CID 60911691
3-[acetyl(cycloheptyl)amino]-N-(2,4-dimethylphenyl)propanamide
CID 113122707
2-[cyclopropyl(2-hydroxyethyl)amino]-N-(4-methylphenyl)acetamide
CID 60509867
2-[cyclopropyl(thiophen-3-ylmethyl)amino]-N-(2,4-dimethylphenyl)acetamide
CID 60516341
3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(2,5-dimethylphenyl)propanamide
CID 84567734
2-[cyclobutyl(2-hydroxyethyl)amino]-1-(2,4,6-trimethylphenyl)ethanone
CID 102864574
N-(3-chloro-4-methylphenyl)-2-[cyclobutyl(2-hydroxyethyl)amino]acetamide
CID 102677060
N-(2,4-dimethylphenyl)-2-[2-hydroxyethyl(2-methoxyethyl)amino]acetamide
CID 111103230
2-[cyclobutyl(2-hydroxyethyl)amino]-N-(2,5-difluorophenyl)acetamide
CID 102676904
2-(diethylamino)-N-(2,4-dimethylphenyl)acetamide
CID 28447

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-[2-hydroxyethyl-[(3R)-thian-3-yl]amino]acetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-[2-hydroxyethyl-[(3R)-thian-3-yl]amino]acetamide (CID 124726591) is N-(2,4-dimethylphenyl)-2-[2-hydroxyethyl-[(3R)-thian-3-yl]amino]acetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-[2-hydroxyethyl-[(3R)-thian-3-yl]amino]acetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-[2-hydroxyethyl-[(3R)-thian-3-yl]amino]acetamide is Cc1ccc(NC(=O)CN(CCO)[C@@H]2CCCSC2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-[2-hydroxyethyl-[(3R)-thian-3-yl]amino]acetamide?
The InChIKey is CCWBMLKSILOSHK-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H26N2O2S/c1-13-5-6-16(14(2)10-13)18-17(21)11-19(7-8-20)15-4-3-9-22-12-15/h5-6,10,15,20H,3-4,7-9,11-12H2,1-2H3,(H,18,21)/t15-/m1/s1.
What are the key properties of N-(2,4-dimethylphenyl)-2-[2-hydroxyethyl-[(3R)-thian-3-yl]amino]acetamide?
N-(2,4-dimethylphenyl)-2-[2-hydroxyethyl-[(3R)-thian-3-yl]amino]acetamide has a molecular weight of 322.47 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-[2-hydroxyethyl-[(3R)-thian-3-yl]amino]acetamide is sourced from PubChem (CID 124726591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).