2-(2,5-dimethylphenyl)sulfanyl-N,N-bis(2-hydroxyethyl)acetamide

C14H21NO3S — CID 60653053

IUPAC2-(2,5-dimethylphenyl)sulfanyl-N,N-bis(2-hydroxyethyl)acetamide
SMILESCc1ccc(C)c(SCC(=O)N(CCO)CCO)c1
InChIInChI=1S/C14H21NO3S/c1-11-3-4-12(2)13(9-11)19-10-14(18)15(5-7-16)6-8-17/h3-4,9,16-17H,5-8,10H2,1-2H3
InChIKeyPAXWNJTXKXRRTG-UHFFFAOYSA-N
MW283.39 g/mol
LogP1.21
Rot. Bonds7

About 2-(2,5-dimethylphenyl)sulfanyl-N,N-bis(2-hydroxyethyl)acetamide

2-(2,5-dimethylphenyl)sulfanyl-N,N-bis(2-hydroxyethyl)acetamide (PubChem CID 60653053) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)sulfanyl-N,N-bis(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)sulfanyl-N,N-bis(2-hydroxyethyl)acetamide
PubChem CID60653053
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name2-(2,5-dimethylphenyl)sulfanyl-N,N-bis(2-hydroxyethyl)acetamide
SMILESCc1ccc(C)c(SCC(=O)N(CCO)CCO)c1
InChIInChI=1S/C14H21NO3S/c1-11-3-4-12(2)13(9-11)19-10-14(18)15(5-7-16)6-8-17/h3-4,9,16-17H,5-8,10H2,1-2H3
InChIKeyPAXWNJTXKXRRTG-UHFFFAOYSA-N
XLogP1.21
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dimethylphenyl)sulfanyl-N-(2-hydroxyethyl)-N-propylacetamide
CID 60655642
N-cyclopropyl-2-(2,5-dimethylphenyl)sulfanyl-N-(2-hydroxyethyl)acetamide
CID 43577384
2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]-ethylamino]acetic acid
CID 61021775
3-[[2-(2,5-dimethylphenyl)sulfanylacetyl]-ethylamino]propanoic acid
CID 61007935
3-[benzyl-[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]propanamide
CID 42150550
N,N-bis(2-cyanoethyl)-2-(2,4-dimethylphenyl)sulfanylacetamide
CID 30422819
2-(2,5-dimethylphenyl)sulfanyl-1-(4-methylphenyl)ethanone
CID 43413759
2-(2,5-dimethylphenyl)sulfanyl-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 112786279
N-(2,4-dimethylphenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 24679630
2-(2,5-dimethylphenyl)sulfanyl-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 43390415
(2S)-2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]-4-hydroxybutanoic acid
CID 107822367
2-(4-bromo-2-methylphenyl)sulfanyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide
CID 107482645

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)sulfanyl-N,N-bis(2-hydroxyethyl)acetamide?
The IUPAC name of 2-(2,5-dimethylphenyl)sulfanyl-N,N-bis(2-hydroxyethyl)acetamide (CID 60653053) is 2-(2,5-dimethylphenyl)sulfanyl-N,N-bis(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-(2,5-dimethylphenyl)sulfanyl-N,N-bis(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-(2,5-dimethylphenyl)sulfanyl-N,N-bis(2-hydroxyethyl)acetamide is Cc1ccc(C)c(SCC(=O)N(CCO)CCO)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)sulfanyl-N,N-bis(2-hydroxyethyl)acetamide?
The InChIKey is PAXWNJTXKXRRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-11-3-4-12(2)13(9-11)19-10-14(18)15(5-7-16)6-8-17/h3-4,9,16-17H,5-8,10H2,1-2H3.
What are the key properties of 2-(2,5-dimethylphenyl)sulfanyl-N,N-bis(2-hydroxyethyl)acetamide?
2-(2,5-dimethylphenyl)sulfanyl-N,N-bis(2-hydroxyethyl)acetamide has a molecular weight of 283.39 g/mol, XLogP of 1.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)sulfanyl-N,N-bis(2-hydroxyethyl)acetamide is sourced from PubChem (CID 60653053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).