N,N-bis(2-hydroxyethyl)-4-(sulfanylmethyl)benzamide

C12H17NO3S — CID 143150014

IUPACN,N-bis(2-hydroxyethyl)-4-(sulfanylmethyl)benzamide
SMILESO=C(c1ccc(CS)cc1)N(CCO)CCO
InChIInChI=1S/C12H17NO3S/c14-7-5-13(6-8-15)12(16)11-3-1-10(9-17)2-4-11/h1-4,14-15,17H,5-9H2
InChIKeyJZNSSQWIMYMUGE-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.54
Rot. Bonds6

About N,N-bis(2-hydroxyethyl)-4-(sulfanylmethyl)benzamide

N,N-bis(2-hydroxyethyl)-4-(sulfanylmethyl)benzamide (PubChem CID 143150014) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is N,N-bis(2-hydroxyethyl)-4-(sulfanylmethyl)benzamide.

Molecular Properties

Compound NameN,N-bis(2-hydroxyethyl)-4-(sulfanylmethyl)benzamide
PubChem CID143150014
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC NameN,N-bis(2-hydroxyethyl)-4-(sulfanylmethyl)benzamide
SMILESO=C(c1ccc(CS)cc1)N(CCO)CCO
InChIInChI=1S/C12H17NO3S/c14-7-5-13(6-8-15)12(16)11-3-1-10(9-17)2-4-11/h1-4,14-15,17H,5-9H2
InChIKeyJZNSSQWIMYMUGE-UHFFFAOYSA-N
XLogP0.54
TPSA60.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxyethyl)-4-(hydroxymethyl)-N-propylbenzamide
CID 61425097
N,N-bis(2-hydroxyethyl)-4-(methoxymethyl)benzamide
CID 61235842
N-(2-hydroxyethyl)-4-(methylsulfanylmethyl)-N-propylbenzamide
CID 60656648
4-(chloromethyl)-N-ethyl-N-(2-hydroxyethyl)benzamide
CID 60948392
4-acetamido-N,N-bis(2-hydroxyethyl)benzamide
CID 60653074
N-ethyl-N-methyl-4-(sulfanylmethyl)benzamide
CID 142914162
3,4-diamino-N,N-bis(2-hydroxyethyl)benzamide
CID 94810814
ethane;N-(2-hydroxyethyl)-4-methyl-N-propylbenzamide
CID 176553147
4-amino-N-(2-hydroxyethyl)-N-propylbenzamide
CID 60946109
4-(dimethylsulfamoyl)-N,N-bis(2-hydroxyethyl)benzamide
CID 60655214
4-ethyl-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide
CID 113340627
3-[2-hydroxyethyl-(4-methylbenzoyl)amino]propanoic acid
CID 82324694

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-hydroxyethyl)-4-(sulfanylmethyl)benzamide?
The IUPAC name of N,N-bis(2-hydroxyethyl)-4-(sulfanylmethyl)benzamide (CID 143150014) is N,N-bis(2-hydroxyethyl)-4-(sulfanylmethyl)benzamide.
What is the SMILES notation for N,N-bis(2-hydroxyethyl)-4-(sulfanylmethyl)benzamide?
The canonical SMILES for N,N-bis(2-hydroxyethyl)-4-(sulfanylmethyl)benzamide is O=C(c1ccc(CS)cc1)N(CCO)CCO.
What is the InChIKey of N,N-bis(2-hydroxyethyl)-4-(sulfanylmethyl)benzamide?
The InChIKey is JZNSSQWIMYMUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c14-7-5-13(6-8-15)12(16)11-3-1-10(9-17)2-4-11/h1-4,14-15,17H,5-9H2.
What are the key properties of N,N-bis(2-hydroxyethyl)-4-(sulfanylmethyl)benzamide?
N,N-bis(2-hydroxyethyl)-4-(sulfanylmethyl)benzamide has a molecular weight of 255.34 g/mol, XLogP of 0.54, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-hydroxyethyl)-4-(sulfanylmethyl)benzamide is sourced from PubChem (CID 143150014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).