N-ethyl-N-naphthalen-1-yl-2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]acetamide

C21H22N2O3S2 — CID 31472011

IUPACN-ethyl-N-naphthalen-1-yl-2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESC=CCN(CC(=O)N(CC)c1cccc2ccccc12)S(=O)(=O)c1cccs1
InChIInChI=1S/C21H22N2O3S2/c1-3-14-22(28(25,26)21-13-8-15-27-21)16-20(24)23(4-2)19-12-7-10-17-9-5-6-11-18(17)19/h3,5-13,15H,1,4,14,16H2,2H3
InChIKeyOWSKIWVXSQWOOH-UHFFFAOYSA-N
MW414.55 g/mol
LogP4.13
Rot. Bonds8

About N-ethyl-N-naphthalen-1-yl-2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]acetamide

N-ethyl-N-naphthalen-1-yl-2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]acetamide (PubChem CID 31472011) has the molecular formula C21H22N2O3S2 and a molecular weight of 414.55 g/mol. Its IUPAC name is N-ethyl-N-naphthalen-1-yl-2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-ethyl-N-naphthalen-1-yl-2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]acetamide
PubChem CID31472011
Molecular FormulaC21H22N2O3S2
Molecular Weight414.55 g/mol
Exact Mass414.11
IUPAC NameN-ethyl-N-naphthalen-1-yl-2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESC=CCN(CC(=O)N(CC)c1cccc2ccccc12)S(=O)(=O)c1cccs1
InChIInChI=1S/C21H22N2O3S2/c1-3-14-22(28(25,26)21-13-8-15-27-21)16-20(24)23(4-2)19-12-7-10-17-9-5-6-11-18(17)19/h3,5-13,15H,1,4,14,16H2,2H3
InChIKeyOWSKIWVXSQWOOH-UHFFFAOYSA-N
XLogP4.13
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]benzoate
CID 100548313
N-(4-fluorophenyl)-2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 26055171
N-(2-methylphenyl)-N-prop-2-enylthiophene-2-sulfonamide
CID 100547015
naphthalen-1-yl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
CID 16560682
N-(4-iodo-2-methylphenyl)-2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 26055182
N-ethyl-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-naphthalen-1-ylacetamide
CID 2442734
N-ethyl-2-[ethyl(2-hydroxyethyl)amino]-N-naphthalen-1-ylacetamide
CID 110881176
[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-3-carboxylate
CID 55425648
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 31323268
N-(1,3-benzodioxol-5-yl)-2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 26055162
N,N-diethyl-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
CID 30256313
N-benzyl-2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 3649754

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-naphthalen-1-yl-2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]acetamide?
The IUPAC name of N-ethyl-N-naphthalen-1-yl-2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]acetamide (CID 31472011) is N-ethyl-N-naphthalen-1-yl-2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]acetamide.
What is the SMILES notation for N-ethyl-N-naphthalen-1-yl-2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]acetamide?
The canonical SMILES for N-ethyl-N-naphthalen-1-yl-2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]acetamide is C=CCN(CC(=O)N(CC)c1cccc2ccccc12)S(=O)(=O)c1cccs1.
What is the InChIKey of N-ethyl-N-naphthalen-1-yl-2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]acetamide?
The InChIKey is OWSKIWVXSQWOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S2/c1-3-14-22(28(25,26)21-13-8-15-27-21)16-20(24)23(4-2)19-12-7-10-17-9-5-6-11-18(17)19/h3,5-13,15H,1,4,14,16H2,2H3.
What are the key properties of N-ethyl-N-naphthalen-1-yl-2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]acetamide?
N-ethyl-N-naphthalen-1-yl-2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]acetamide has a molecular weight of 414.55 g/mol, XLogP of 4.13, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-naphthalen-1-yl-2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]acetamide is sourced from PubChem (CID 31472011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).