N-(5-chloro-2-methoxyphenyl)-2-[2-(diethylamino)-2-oxoethyl]sulfanylacetamide

C15H21ClN2O3S — CID 112762838

IUPACN-(5-chloro-2-methoxyphenyl)-2-[2-(diethylamino)-2-oxoethyl]sulfanylacetamide
SMILESCCN(CC)C(=O)CSCC(=O)Nc1cc(Cl)ccc1OC
InChIInChI=1S/C15H21ClN2O3S/c1-4-18(5-2)15(20)10-22-9-14(19)17-12-8-11(16)6-7-13(12)21-3/h6-8H,4-5,9-10H2,1-3H3,(H,17,19)
InChIKeyPVTFRHNIKPHUFO-UHFFFAOYSA-N
MW344.86 g/mol
LogP2.89
Rot. Bonds8

About N-(5-chloro-2-methoxyphenyl)-2-[2-(diethylamino)-2-oxoethyl]sulfanylacetamide

N-(5-chloro-2-methoxyphenyl)-2-[2-(diethylamino)-2-oxoethyl]sulfanylacetamide (PubChem CID 112762838) has the molecular formula C15H21ClN2O3S and a molecular weight of 344.86 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-[2-(diethylamino)-2-oxoethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-[2-(diethylamino)-2-oxoethyl]sulfanylacetamide
PubChem CID112762838
Molecular FormulaC15H21ClN2O3S
Molecular Weight344.86 g/mol
Exact Mass344.10
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-[2-(diethylamino)-2-oxoethyl]sulfanylacetamide
SMILESCCN(CC)C(=O)CSCC(=O)Nc1cc(Cl)ccc1OC
InChIInChI=1S/C15H21ClN2O3S/c1-4-18(5-2)15(20)10-22-9-14(19)17-12-8-11(16)6-7-13(12)21-3/h6-8H,4-5,9-10H2,1-3H3,(H,17,19)
InChIKeyPVTFRHNIKPHUFO-UHFFFAOYSA-N
XLogP2.89
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.86
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-aminopropylsulfanyl)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 66217565
2-(2-aminobutylsulfanyl)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 66229626
N-(5-chloro-2-methoxyphenyl)-2-(2,3-dihydroxypropylsulfanyl)acetamide
CID 79682314
3-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfanyl-2-methylpropanoic acid
CID 64914076
N-(5-chloro-2-methoxyphenyl)-2-[2-(4-propoxyphenoxy)ethylsulfanyl]acetamide
CID 31091838
4-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,N-diethylpiperazine-1-carboxamide
CID 37192606
2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide
CID 776663
2-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfanylbutanoic acid
CID 105352698
2-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 1447930
2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
CID 35495479
N-(5-chloro-2-methoxyphenyl)-2-(3-hydroxybutan-2-ylsulfanyl)acetamide
CID 103705878
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-ethylamino]acetic acid
CID 61013224

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[2-(diethylamino)-2-oxoethyl]sulfanylacetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[2-(diethylamino)-2-oxoethyl]sulfanylacetamide (CID 112762838) is N-(5-chloro-2-methoxyphenyl)-2-[2-(diethylamino)-2-oxoethyl]sulfanylacetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-[2-(diethylamino)-2-oxoethyl]sulfanylacetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-[2-(diethylamino)-2-oxoethyl]sulfanylacetamide is CCN(CC)C(=O)CSCC(=O)Nc1cc(Cl)ccc1OC.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-[2-(diethylamino)-2-oxoethyl]sulfanylacetamide?
The InChIKey is PVTFRHNIKPHUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3S/c1-4-18(5-2)15(20)10-22-9-14(19)17-12-8-11(16)6-7-13(12)21-3/h6-8H,4-5,9-10H2,1-3H3,(H,17,19).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-[2-(diethylamino)-2-oxoethyl]sulfanylacetamide?
N-(5-chloro-2-methoxyphenyl)-2-[2-(diethylamino)-2-oxoethyl]sulfanylacetamide has a molecular weight of 344.86 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-[2-(diethylamino)-2-oxoethyl]sulfanylacetamide is sourced from PubChem (CID 112762838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).