N-[2-(4-methoxyphenyl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide

C16H20N2O4S2 — CID 4784924

IUPACN-[2-(4-methoxyphenyl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESCOc1ccc(CCNC(=O)CN(C)S(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C16H20N2O4S2/c1-18(24(20,21)16-4-3-11-23-16)12-15(19)17-10-9-13-5-7-14(22-2)8-6-13/h3-8,11H,9-10,12H2,1-2H3,(H,17,19)
InChIKeyNREYWWANLXXSRN-UHFFFAOYSA-N
MW368.48 g/mol
LogP1.74
Rot. Bonds8

About N-[2-(4-methoxyphenyl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide

N-[2-(4-methoxyphenyl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide (PubChem CID 4784924) has the molecular formula C16H20N2O4S2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
PubChem CID4784924
Molecular FormulaC16H20N2O4S2
Molecular Weight368.48 g/mol
Exact Mass368.09
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESCOc1ccc(CCNC(=O)CN(C)S(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C16H20N2O4S2/c1-18(24(20,21)16-4-3-11-23-16)12-15(19)17-10-9-13-5-7-14(22-2)8-6-13/h3-8,11H,9-10,12H2,1-2H3,(H,17,19)
InChIKeyNREYWWANLXXSRN-UHFFFAOYSA-N
XLogP1.74
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxybenzyl)-3-(thien-2-ylsulfonyl)propanamide
CID 3237297
N-(3-methoxybenzyl)-4-[(thien-2-ylsulfonyl)amino]butanamide
CID 3244569
N-[2-(4-methoxyphenyl)ethyl]-2-(2-thienyl)acetamide
CID 885121
N-[(6R)-1-hydroxy-7-oxo-5,6-dihydro-2H-azepin-6-yl]-5-(4-methoxyphenyl)thiophene-2-sulfonamide
CID 57394607
(2R)-N-hydroxy-2-[(4-methoxybenzene)[2-(thiophen-3-yl)ethyl]sulfonamido]-3-methylbutanamide
CID 6539656
N-[2-(4-methoxyphenyl)ethyl]thiophene-2-sulfonamide
CID 769090
N-Ethyl-2-[(4-methoxy-benzenesulfonyl)-phenethyl-amino]-acetamide
CID 2241780
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 2397966
3-(4-Methoxyphenyl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one
CID 2713016
N~1~-[2-(3,4-dimethoxyphenyl)ethyl]-N~2~-methyl-N~2~-(thien-2-ylsulfonyl)glycinamide
CID 3239350
2-(2-Methoxyphenyl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone
CID 6465259
2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 9036557

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide (CID 4784924) is N-[2-(4-methoxyphenyl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide is COc1ccc(CCNC(=O)CN(C)S(=O)(=O)c2cccs2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The InChIKey is NREYWWANLXXSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S2/c1-18(24(20,21)16-4-3-11-23-16)12-15(19)17-10-9-13-5-7-14(22-2)8-6-13/h3-8,11H,9-10,12H2,1-2H3,(H,17,19).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
N-[2-(4-methoxyphenyl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide has a molecular weight of 368.48 g/mol, XLogP of 1.74, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide is sourced from PubChem (CID 4784924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).