N-(3-fluoro-4-methylphenyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide

C17H20FN3O4S — CID 17429903

IUPACN-(3-fluoro-4-methylphenyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)cc1F
InChIInChI=1S/C17H20FN3O4S/c1-12-3-4-13(9-15(12)18)19-17(22)16-10-14(11-20(16)2)26(23,24)21-5-7-25-8-6-21/h3-4,9-11H,5-8H2,1-2H3,(H,19,22)
InChIKeyQDCSYFIMPNBJMB-UHFFFAOYSA-N
MW381.43 g/mol
LogP1.75
Rot. Bonds4

About N-(3-fluoro-4-methylphenyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide

N-(3-fluoro-4-methylphenyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide (PubChem CID 17429903) has the molecular formula C17H20FN3O4S and a molecular weight of 381.43 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
PubChem CID17429903
Molecular FormulaC17H20FN3O4S
Molecular Weight381.43 g/mol
Exact Mass381.12
IUPAC NameN-(3-fluoro-4-methylphenyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)cc1F
InChIInChI=1S/C17H20FN3O4S/c1-12-3-4-13(9-15(12)18)19-17(22)16-10-14(11-20(16)2)26(23,24)21-5-7-25-8-6-21/h3-4,9-11H,5-8H2,1-2H3,(H,19,22)
InChIKeyQDCSYFIMPNBJMB-UHFFFAOYSA-N
XLogP1.75
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Bersacapavir
CID 121294984
N-[2-(4-fluorophenyl)-2-(morpholin-4-yl)ethyl]-1-methyl-1H-pyrrole-2-carboxamide
CID 24819924
N-[1-(4-fluoro-3-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide
CID 52914548
N-(4-chloro-2-methylphenyl)-1-methyl-4-(morpholine-4-sulfonyl)-1H-pyrrole-2-carboxamide
CID 16034620
[2-[(1-Methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate
CID 2998305
ethyl 4-({[4-(2,3-dihydro-1H-indol-1-ylsulfonyl)-1-methyl-1H-pyrrol-2-yl]carbonyl}amino)piperidine-1-carboxylate
CID 3243572
N-(3-morpholin-4-ylsulfonylphenyl)pyridine-2-carboxamide
CID 4336266
N,1-Dimethyl-N-(4-methylphenyl)-4-(pyrrolidine-1-sulfonyl)-1H-pyrrole-2-carboxamide
CID 6625756
N-(4-Ethylphenyl)-4-(pyrrolidine-1-sulfonyl)-1H-pyrrole-2-carboxamide
CID 6626029
1-(2,5-Dimethylphenyl)-4-[1-methyl-4-(pyrrolidine-1-sulfonyl)-1H-pyrrole-2-carbonyl]piperazine
CID 16017803
1-Methyl-4-(pyrrolidine-1-sulfonyl)-N-[4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 16017823
4-pyrrolidin-1-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 16018573

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide (CID 17429903) is N-(3-fluoro-4-methylphenyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide is Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide?
The InChIKey is QDCSYFIMPNBJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O4S/c1-12-3-4-13(9-15(12)18)19-17(22)16-10-14(11-20(16)2)26(23,24)21-5-7-25-8-6-21/h3-4,9-11H,5-8H2,1-2H3,(H,19,22).
What are the key properties of N-(3-fluoro-4-methylphenyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide?
N-(3-fluoro-4-methylphenyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide has a molecular weight of 381.43 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide is sourced from PubChem (CID 17429903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).