N-carbamoyl-3-(2-methoxyphenyl)sulfanylpropanamide

C11H14N2O3S — CID 47449102

IUPACN-carbamoyl-3-(2-methoxyphenyl)sulfanylpropanamide
SMILESCOc1ccccc1SCCC(=O)NC(N)=O
InChIInChI=1S/C11H14N2O3S/c1-16-8-4-2-3-5-9(8)17-7-6-10(14)13-11(12)15/h2-5H,6-7H2,1H3,(H3,12,13,14,15)
InChIKeyRNBNYAXVXCAOSQ-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.37
Rot. Bonds5

About N-carbamoyl-3-(2-methoxyphenyl)sulfanylpropanamide

N-carbamoyl-3-(2-methoxyphenyl)sulfanylpropanamide (PubChem CID 47449102) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is N-carbamoyl-3-(2-methoxyphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-carbamoyl-3-(2-methoxyphenyl)sulfanylpropanamide
PubChem CID47449102
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC NameN-carbamoyl-3-(2-methoxyphenyl)sulfanylpropanamide
SMILESCOc1ccccc1SCCC(=O)NC(N)=O
InChIInChI=1S/C11H14N2O3S/c1-16-8-4-2-3-5-9(8)17-7-6-10(14)13-11(12)15/h2-5H,6-7H2,1H3,(H3,12,13,14,15)
InChIKeyRNBNYAXVXCAOSQ-UHFFFAOYSA-N
XLogP1.37
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-bromo-2-methoxyphenyl)sulfanyl-N-carbamoylbutanamide
CID 122142252
N-(4-acetylphenyl)-3-(2-methoxyphenyl)sulfanylpropanamide
CID 60593778
tert-butyl 3-(2-methoxyphenyl)sulfanylpropanoate
CID 113227654
methyl (2R)-3-(2-methoxyphenyl)sulfanyl-2-methylpropanoate
CID 59809197
1-[2-[2-(2-methoxyphenyl)sulfanylethoxy]phenyl]ethanone
CID 61292258
3-[(3-amino-4-pyridinyl)sulfanyl]-N-(2-methoxyphenyl)propanamide
CID 43299506
3-(2-chlorophenyl)sulfanyl-N-methoxypropanamide
CID 60700895
N-cyclopentyl-2-(2-methoxyphenyl)sulfanylacetamide
CID 52772357
methyl 3-(2-fluoro-3-methoxyphenyl)sulfanylpropanoate
CID 155035663
N-carbamoyl-3-(3-methylphenyl)sulfanylpropanamide
CID 47449185
(E)-6-(2-methoxyphenyl)sulfanylhex-3-en-2-one
CID 19902761
2-(2-methoxyphenyl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 52772198

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-3-(2-methoxyphenyl)sulfanylpropanamide?
The IUPAC name of N-carbamoyl-3-(2-methoxyphenyl)sulfanylpropanamide (CID 47449102) is N-carbamoyl-3-(2-methoxyphenyl)sulfanylpropanamide.
What is the SMILES notation for N-carbamoyl-3-(2-methoxyphenyl)sulfanylpropanamide?
The canonical SMILES for N-carbamoyl-3-(2-methoxyphenyl)sulfanylpropanamide is COc1ccccc1SCCC(=O)NC(N)=O.
What is the InChIKey of N-carbamoyl-3-(2-methoxyphenyl)sulfanylpropanamide?
The InChIKey is RNBNYAXVXCAOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-16-8-4-2-3-5-9(8)17-7-6-10(14)13-11(12)15/h2-5H,6-7H2,1H3,(H3,12,13,14,15).
What are the key properties of N-carbamoyl-3-(2-methoxyphenyl)sulfanylpropanamide?
N-carbamoyl-3-(2-methoxyphenyl)sulfanylpropanamide has a molecular weight of 254.31 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-3-(2-methoxyphenyl)sulfanylpropanamide is sourced from PubChem (CID 47449102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).