N-[(4-methoxyphenyl)methyl]-1-methyl-4-(methylsulfamoyl)-N-prop-2-enylpyrrole-2-carboxamide

C18H23N3O4S — CID 51123864

IUPACN-[(4-methoxyphenyl)methyl]-1-methyl-4-(methylsulfamoyl)-N-prop-2-enylpyrrole-2-carboxamide
SMILESC=CCN(Cc1ccc(OC)cc1)C(=O)c1cc(S(=O)(=O)NC)cn1C
InChIInChI=1S/C18H23N3O4S/c1-5-10-21(12-14-6-8-15(25-4)9-7-14)18(22)17-11-16(13-20(17)3)26(23,24)19-2/h5-9,11,13,19H,1,10,12H2,2-4H3
InChIKeyGYBVQTRYXZJCBP-UHFFFAOYSA-N
MW377.47 g/mol
LogP1.77
Rot. Bonds8

About N-[(4-methoxyphenyl)methyl]-1-methyl-4-(methylsulfamoyl)-N-prop-2-enylpyrrole-2-carboxamide

N-[(4-methoxyphenyl)methyl]-1-methyl-4-(methylsulfamoyl)-N-prop-2-enylpyrrole-2-carboxamide (PubChem CID 51123864) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-1-methyl-4-(methylsulfamoyl)-N-prop-2-enylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-1-methyl-4-(methylsulfamoyl)-N-prop-2-enylpyrrole-2-carboxamide
PubChem CID51123864
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC NameN-[(4-methoxyphenyl)methyl]-1-methyl-4-(methylsulfamoyl)-N-prop-2-enylpyrrole-2-carboxamide
SMILESC=CCN(Cc1ccc(OC)cc1)C(=O)c1cc(S(=O)(=O)NC)cn1C
InChIInChI=1S/C18H23N3O4S/c1-5-10-21(12-14-6-8-15(25-4)9-7-14)18(22)17-11-16(13-20(17)3)26(23,24)19-2/h5-9,11,13,19H,1,10,12H2,2-4H3
InChIKeyGYBVQTRYXZJCBP-UHFFFAOYSA-N
XLogP1.77
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 51.77
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

3-(benzenesulfonamido)-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylbenzamide
CID 55982363
N-[(3-methoxyphenyl)methyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
CID 34376886
4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-1-methylpyrrole-2-carboxamide
CID 61109695
2,2,2-tribromo-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylacetamide
CID 10527770
2-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)-prop-2-enylamino]acetic acid
CID 79263055
3-[(4-methoxyphenyl)methyl]-1,1-bis(prop-2-enyl)urea
CID 108868165
5-bromo-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylpyridine-3-carboxamide
CID 55918848
4-(3,5-dimethylpyrazol-1-yl)-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylbenzamide
CID 55918590
methyl (2S)-2-amino-5-[(4-methoxyphenyl)methyl-prop-2-enylamino]-5-oxopentanoate
CID 69494857
4-(diethylsulfamoyl)-1-methyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 55452972
N-[(4-methoxyphenyl)methyl]-N-prop-2-enyl-2-(thiophen-2-ylsulfonylamino)acetamide
CID 55982620
3-(2,5-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylprop-2-enamide
CID 55918463

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-1-methyl-4-(methylsulfamoyl)-N-prop-2-enylpyrrole-2-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-1-methyl-4-(methylsulfamoyl)-N-prop-2-enylpyrrole-2-carboxamide (CID 51123864) is N-[(4-methoxyphenyl)methyl]-1-methyl-4-(methylsulfamoyl)-N-prop-2-enylpyrrole-2-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-1-methyl-4-(methylsulfamoyl)-N-prop-2-enylpyrrole-2-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-1-methyl-4-(methylsulfamoyl)-N-prop-2-enylpyrrole-2-carboxamide is C=CCN(Cc1ccc(OC)cc1)C(=O)c1cc(S(=O)(=O)NC)cn1C.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-1-methyl-4-(methylsulfamoyl)-N-prop-2-enylpyrrole-2-carboxamide?
The InChIKey is GYBVQTRYXZJCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-5-10-21(12-14-6-8-15(25-4)9-7-14)18(22)17-11-16(13-20(17)3)26(23,24)19-2/h5-9,11,13,19H,1,10,12H2,2-4H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-1-methyl-4-(methylsulfamoyl)-N-prop-2-enylpyrrole-2-carboxamide?
N-[(4-methoxyphenyl)methyl]-1-methyl-4-(methylsulfamoyl)-N-prop-2-enylpyrrole-2-carboxamide has a molecular weight of 377.47 g/mol, XLogP of 1.77, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-1-methyl-4-(methylsulfamoyl)-N-prop-2-enylpyrrole-2-carboxamide is sourced from PubChem (CID 51123864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).