N-[(4-methoxyphenyl)methyl]-N-prop-2-enyl-2-(thiophen-2-ylsulfonylamino)acetamide

C17H20N2O4S2 — CID 55982620

IUPACN-[(4-methoxyphenyl)methyl]-N-prop-2-enyl-2-(thiophen-2-ylsulfonylamino)acetamide
SMILESC=CCN(Cc1ccc(OC)cc1)C(=O)CNS(=O)(=O)c1cccs1
InChIInChI=1S/C17H20N2O4S2/c1-3-10-19(13-14-6-8-15(23-2)9-7-14)16(20)12-18-25(21,22)17-5-4-11-24-17/h3-9,11,18H,1,10,12-13H2,2H3
InChIKeyDZSITHXSEVKLNP-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.25
Rot. Bonds9

About N-[(4-methoxyphenyl)methyl]-N-prop-2-enyl-2-(thiophen-2-ylsulfonylamino)acetamide

N-[(4-methoxyphenyl)methyl]-N-prop-2-enyl-2-(thiophen-2-ylsulfonylamino)acetamide (PubChem CID 55982620) has the molecular formula C17H20N2O4S2 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-N-prop-2-enyl-2-(thiophen-2-ylsulfonylamino)acetamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-N-prop-2-enyl-2-(thiophen-2-ylsulfonylamino)acetamide
PubChem CID55982620
Molecular FormulaC17H20N2O4S2
Molecular Weight380.49 g/mol
Exact Mass380.09
IUPAC NameN-[(4-methoxyphenyl)methyl]-N-prop-2-enyl-2-(thiophen-2-ylsulfonylamino)acetamide
SMILESC=CCN(Cc1ccc(OC)cc1)C(=O)CNS(=O)(=O)c1cccs1
InChIInChI=1S/C17H20N2O4S2/c1-3-10-19(13-14-6-8-15(23-2)9-7-14)16(20)12-18-25(21,22)17-5-4-11-24-17/h3-9,11,18H,1,10,12-13H2,2H3
InChIKeyDZSITHXSEVKLNP-UHFFFAOYSA-N
XLogP2.25
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-methoxyphenyl)propyl]thiophene-2-sulfonamide
CID 47330584
2-(4-methoxyphenoxy)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 78801568
methyl (2S)-2-amino-5-[(4-methoxyphenyl)methyl-prop-2-enylamino]-5-oxopentanoate
CID 69494857
4-amino-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylbutanamide
CID 119299364
N-(4-methoxyphenyl)-N-prop-2-enylthiophene-2-sulfonamide
CID 100548025
N-(2-methylprop-2-enyl)thiophene-2-sulfonamide
CID 114616390
3-amino-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylbutanamide;hydrochloride
CID 119741696
2,2,2-tribromo-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylacetamide
CID 10527770
N-[(4-methoxyphenyl)methyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)-N-prop-2-enylacetamide
CID 55918847
N-benzyl-2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 3649754
2-(2-benzyl-1,3-thiazol-4-yl)-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylacetamide
CID 55917442
3-(benzenesulfonamido)-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylbenzamide
CID 55982363

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-N-prop-2-enyl-2-(thiophen-2-ylsulfonylamino)acetamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-N-prop-2-enyl-2-(thiophen-2-ylsulfonylamino)acetamide (CID 55982620) is N-[(4-methoxyphenyl)methyl]-N-prop-2-enyl-2-(thiophen-2-ylsulfonylamino)acetamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-N-prop-2-enyl-2-(thiophen-2-ylsulfonylamino)acetamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-N-prop-2-enyl-2-(thiophen-2-ylsulfonylamino)acetamide is C=CCN(Cc1ccc(OC)cc1)C(=O)CNS(=O)(=O)c1cccs1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-N-prop-2-enyl-2-(thiophen-2-ylsulfonylamino)acetamide?
The InChIKey is DZSITHXSEVKLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S2/c1-3-10-19(13-14-6-8-15(23-2)9-7-14)16(20)12-18-25(21,22)17-5-4-11-24-17/h3-9,11,18H,1,10,12-13H2,2H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-N-prop-2-enyl-2-(thiophen-2-ylsulfonylamino)acetamide?
N-[(4-methoxyphenyl)methyl]-N-prop-2-enyl-2-(thiophen-2-ylsulfonylamino)acetamide has a molecular weight of 380.49 g/mol, XLogP of 2.25, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-N-prop-2-enyl-2-(thiophen-2-ylsulfonylamino)acetamide is sourced from PubChem (CID 55982620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).