N-ethyl-2-methyl-N-[(E)-3-phenylprop-2-enyl]-5-sulfamoylbenzamide

C19H22N2O3S — CID 46989053

IUPACN-ethyl-2-methyl-N-[(E)-3-phenylprop-2-enyl]-5-sulfamoylbenzamide
SMILESCCN(C/C=C/c1ccccc1)C(=O)c1cc(S(N)(=O)=O)ccc1C
InChIInChI=1S/C19H22N2O3S/c1-3-21(13-7-10-16-8-5-4-6-9-16)19(22)18-14-17(25(20,23)24)12-11-15(18)2/h4-12,14H,3,13H2,1-2H3,(H2,20,23,24)/b10-7+
InChIKeyWCBIPBSMAMHSRT-JXMROGBWSA-N
MW358.46 g/mol
LogP2.82
Rot. Bonds6

About N-ethyl-2-methyl-N-[(E)-3-phenylprop-2-enyl]-5-sulfamoylbenzamide

N-ethyl-2-methyl-N-[(E)-3-phenylprop-2-enyl]-5-sulfamoylbenzamide (PubChem CID 46989053) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-ethyl-2-methyl-N-[(E)-3-phenylprop-2-enyl]-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-ethyl-2-methyl-N-[(E)-3-phenylprop-2-enyl]-5-sulfamoylbenzamide
PubChem CID46989053
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC NameN-ethyl-2-methyl-N-[(E)-3-phenylprop-2-enyl]-5-sulfamoylbenzamide
SMILESCCN(C/C=C/c1ccccc1)C(=O)c1cc(S(N)(=O)=O)ccc1C
InChIInChI=1S/C19H22N2O3S/c1-3-21(13-7-10-16-8-5-4-6-9-16)19(22)18-14-17(25(20,23)24)12-11-15(18)2/h4-12,14H,3,13H2,1-2H3,(H2,20,23,24)/b10-7+
InChIKeyWCBIPBSMAMHSRT-JXMROGBWSA-N
XLogP2.82
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N,N-diethyl-5-sulfamoylbenzamide
CID 47101234
5-(diethylsulfamoyl)-N,N-diethyl-2-methylbenzamide
CID 78777279
N-(cyclopropylmethyl)-2-methyl-N-propyl-5-sulfamoylbenzamide
CID 60637766
N-(2-benzamidoethyl)-2-methyl-5-sulfamoylbenzamide
CID 38196154
N,N-bis[(E)-3-phenylprop-2-enyl]benzamide
CID 139601549
N-ethyl-2-methyl-N-[(E)-3-phenylprop-2-enyl]-1,8-naphthyridine-3-carboxamide
CID 50970090
2-[ethyl-[5-(ethylsulfamoyl)-2-methylbenzoyl]amino]acetic acid
CID 119206509
N,N-diethyl-2,5-dimethylbenzamide
CID 15621070
3-[ethyl-(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)amino]propanoic acid
CID 119191193
N-ethyl-2-methyl-N-[(Z)-3-phenylprop-2-enyl]butanamide
CID 122692160
N-ethyl-N-(3-phenylprop-2-enyl)cyclopropanecarboxamide
CID 76600124
N,2-dimethyl-N-pent-4-enyl-5-sulfamoylbenzamide
CID 115640375

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-N-[(E)-3-phenylprop-2-enyl]-5-sulfamoylbenzamide?
The IUPAC name of N-ethyl-2-methyl-N-[(E)-3-phenylprop-2-enyl]-5-sulfamoylbenzamide (CID 46989053) is N-ethyl-2-methyl-N-[(E)-3-phenylprop-2-enyl]-5-sulfamoylbenzamide.
What is the SMILES notation for N-ethyl-2-methyl-N-[(E)-3-phenylprop-2-enyl]-5-sulfamoylbenzamide?
The canonical SMILES for N-ethyl-2-methyl-N-[(E)-3-phenylprop-2-enyl]-5-sulfamoylbenzamide is CCN(C/C=C/c1ccccc1)C(=O)c1cc(S(N)(=O)=O)ccc1C.
What is the InChIKey of N-ethyl-2-methyl-N-[(E)-3-phenylprop-2-enyl]-5-sulfamoylbenzamide?
The InChIKey is WCBIPBSMAMHSRT-JXMROGBWSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-3-21(13-7-10-16-8-5-4-6-9-16)19(22)18-14-17(25(20,23)24)12-11-15(18)2/h4-12,14H,3,13H2,1-2H3,(H2,20,23,24)/b10-7+.
What are the key properties of N-ethyl-2-methyl-N-[(E)-3-phenylprop-2-enyl]-5-sulfamoylbenzamide?
N-ethyl-2-methyl-N-[(E)-3-phenylprop-2-enyl]-5-sulfamoylbenzamide has a molecular weight of 358.46 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-N-[(E)-3-phenylprop-2-enyl]-5-sulfamoylbenzamide is sourced from PubChem (CID 46989053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).