4-(diethylsulfamoyl)-1-methyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide

C18H25N3O3S2 — CID 55452972

IUPAC4-(diethylsulfamoyl)-1-methyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
SMILESC=CCN(Cc1cccs1)C(=O)c1cc(S(=O)(=O)N(CC)CC)cn1C
InChIInChI=1S/C18H25N3O3S2/c1-5-10-20(13-15-9-8-11-25-15)18(22)17-12-16(14-19(17)4)26(23,24)21(6-2)7-3/h5,8-9,11-12,14H,1,6-7,10,13H2,2-4H3
InChIKeyGYQUUCRAPLUZJM-UHFFFAOYSA-N
MW395.55 g/mol
LogP2.95
Rot. Bonds9

About 4-(diethylsulfamoyl)-1-methyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide

4-(diethylsulfamoyl)-1-methyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide (PubChem CID 55452972) has the molecular formula C18H25N3O3S2 and a molecular weight of 395.55 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-1-methyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(diethylsulfamoyl)-1-methyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
PubChem CID55452972
Molecular FormulaC18H25N3O3S2
Molecular Weight395.55 g/mol
Exact Mass395.13
IUPAC Name4-(diethylsulfamoyl)-1-methyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
SMILESC=CCN(Cc1cccs1)C(=O)c1cc(S(=O)(=O)N(CC)CC)cn1C
InChIInChI=1S/C18H25N3O3S2/c1-5-10-20(13-15-9-8-11-25-15)18(22)17-12-16(14-19(17)4)26(23,24)21(6-2)7-3/h5,8-9,11-12,14H,1,6-7,10,13H2,2-4H3
InChIKeyGYQUUCRAPLUZJM-UHFFFAOYSA-N
XLogP2.95
TPSA62.62 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(diethylsulfamoyl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)benzamide
CID 78801560
4-bromo-N-ethyl-1-methyl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 60698343
3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)propanamide
CID 55372675
4-(diethylsulfamoyl)-N-[(4-fluorophenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide
CID 51265193
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-4-(diethylsulfamoyl)-N-ethyl-1-methylpyrrole-2-carboxamide
CID 25315575
N-prop-2-enyl-4-(prop-2-enylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide
CID 18116029
2-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)-prop-2-enylamino]acetic acid
CID 79263055
N-[(4-methoxyphenyl)methyl]-1-methyl-4-(methylsulfamoyl)-N-prop-2-enylpyrrole-2-carboxamide
CID 51123864
(E)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 51189835
2-[2-oxo-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethyl]sulfanylpropanoic acid
CID 43238313
N-prop-2-enyl-N-(thiophen-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 43018805
4-bromo-N-(2-methoxyethyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 60700789

Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-1-methyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide?
The IUPAC name of 4-(diethylsulfamoyl)-1-methyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide (CID 55452972) is 4-(diethylsulfamoyl)-1-methyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-(diethylsulfamoyl)-1-methyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-(diethylsulfamoyl)-1-methyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide is C=CCN(Cc1cccs1)C(=O)c1cc(S(=O)(=O)N(CC)CC)cn1C.
What is the InChIKey of 4-(diethylsulfamoyl)-1-methyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide?
The InChIKey is GYQUUCRAPLUZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S2/c1-5-10-20(13-15-9-8-11-25-15)18(22)17-12-16(14-19(17)4)26(23,24)21(6-2)7-3/h5,8-9,11-12,14H,1,6-7,10,13H2,2-4H3.
What are the key properties of 4-(diethylsulfamoyl)-1-methyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide?
4-(diethylsulfamoyl)-1-methyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide has a molecular weight of 395.55 g/mol, XLogP of 2.95, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoyl)-1-methyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 55452972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).