N-(4-ethoxyphenyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide

C18H23N3O5S — CID 17416116

IUPACN-(4-ethoxyphenyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)cc1
InChIInChI=1S/C18H23N3O5S/c1-3-26-15-6-4-14(5-7-15)19-18(22)17-12-16(13-20(17)2)27(23,24)21-8-10-25-11-9-21/h4-7,12-13H,3,8-11H2,1-2H3,(H,19,22)
InChIKeyOFBSKAPYNDOJBL-UHFFFAOYSA-N
MW393.47 g/mol
LogP1.70
Rot. Bonds6

About N-(4-ethoxyphenyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide

N-(4-ethoxyphenyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide (PubChem CID 17416116) has the molecular formula C18H23N3O5S and a molecular weight of 393.47 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
PubChem CID17416116
Molecular FormulaC18H23N3O5S
Molecular Weight393.47 g/mol
Exact Mass393.14
IUPAC NameN-(4-ethoxyphenyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)cc1
InChIInChI=1S/C18H23N3O5S/c1-3-26-15-6-4-14(5-7-15)19-18(22)17-12-16(13-20(17)2)27(23,24)21-8-10-25-11-9-21/h4-7,12-13H,3,8-11H2,1-2H3,(H,19,22)
InChIKeyOFBSKAPYNDOJBL-UHFFFAOYSA-N
XLogP1.70
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-Ethoxyphenyl)picolinamide
CID 904031
4-(2,3-Dihydro-1H-indole-1-sulfonyl)-N-(4-ethoxyphenyl)-1-methyl-N-propyl-1H-pyrrole-2-carboxamide
CID 16017915
[2-(4-Methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 4253900
Benzene-1,4-disulfonic acid 1-diethylamide 4-(furan-2-ylmethyl-pyridin-2-ylmethyl-amide)
CID 648165
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methylpyrrole-2-carboxamide
CID 10315346
[4-(4-Ethoxyphenyl)sulfonylpiperazin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 2496383
N-[4-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)oxy]phenyl]furan-2-carboxamide
CID 2526980
N-[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]pyridine-2-carboxamide
CID 3360888
N-(3-Chloro-4-methoxyphenyl)-1-methyl-4-(morpholine-4-sulfonyl)-1H-pyrrole-2-carboxamide
CID 16017853
N-(4-Ethoxyphenyl)-4-(piperidine-1-sulfonyl)-1H-pyrrole-2-carboxamide
CID 16018604
N-(3-chloro-4-methoxyphenyl)-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 16018666
N-Ethyl-N-(4-methoxyphenyl)-4-(piperidine-1-sulfonyl)-1H-pyrrole-2-carboxamide
CID 16018698

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide (CID 17416116) is N-(4-ethoxyphenyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide is CCOc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide?
The InChIKey is OFBSKAPYNDOJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5S/c1-3-26-15-6-4-14(5-7-15)19-18(22)17-12-16(13-20(17)2)27(23,24)21-8-10-25-11-9-21/h4-7,12-13H,3,8-11H2,1-2H3,(H,19,22).
What are the key properties of N-(4-ethoxyphenyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide?
N-(4-ethoxyphenyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide has a molecular weight of 393.47 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide is sourced from PubChem (CID 17416116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).