N-(4-ethylphenyl)-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide

C17H21N3O4S — CID 18106133

IUPACN-(4-ethylphenyl)-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
SMILESCCc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)cc1
InChIInChI=1S/C17H21N3O4S/c1-2-13-3-5-14(6-4-13)19-17(21)16-11-15(12-18-16)25(22,23)20-7-9-24-10-8-20/h3-6,11-12,18H,2,7-10H2,1H3,(H,19,21)
InChIKeyPPSIJQJHVDZCCC-UHFFFAOYSA-N
MW363.44 g/mol
LogP1.85
Rot. Bonds5

About N-(4-ethylphenyl)-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide

N-(4-ethylphenyl)-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide (PubChem CID 18106133) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is N-(4-ethylphenyl)-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
PubChem CID18106133
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC NameN-(4-ethylphenyl)-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
SMILESCCc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)cc1
InChIInChI=1S/C17H21N3O4S/c1-2-13-3-5-14(6-4-13)19-17(21)16-11-15(12-18-16)25(22,23)20-7-9-24-10-8-20/h3-6,11-12,18H,2,7-10H2,1H3,(H,19,21)
InChIKeyPPSIJQJHVDZCCC-UHFFFAOYSA-N
XLogP1.85
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 34298858
N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 56569809
4-morpholin-4-ylsulfonyl-N-(4-propan-2-yloxyphenyl)-1H-pyrrole-2-carboxamide
CID 55748899
4-morpholin-4-ylsulfonyl-N-propyl-1H-pyrrole-2-carboxamide
CID 18104892
N-(3-chloro-4-propan-2-yloxyphenyl)-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 46423561
N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 55413160
N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 55855284
N-[(4-fluoro-3-methylphenyl)methyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 18129849
2,4-dichloro-N-(4-ethylphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 71903942
2-(4-ethylpyridin-1-ium-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 8857820
N-(4-methoxyphenyl)-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 22551854
N-[1-(ethylamino)-1-oxopropan-2-yl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 51110547

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide (CID 18106133) is N-(4-ethylphenyl)-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide is CCc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide?
The InChIKey is PPSIJQJHVDZCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S/c1-2-13-3-5-14(6-4-13)19-17(21)16-11-15(12-18-16)25(22,23)20-7-9-24-10-8-20/h3-6,11-12,18H,2,7-10H2,1H3,(H,19,21).
What are the key properties of N-(4-ethylphenyl)-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide?
N-(4-ethylphenyl)-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide has a molecular weight of 363.44 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 18106133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).