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

C18H23N3O5S — CID 55748899

IUPAC4-morpholin-4-ylsulfonyl-N-(4-propan-2-yloxyphenyl)-1H-pyrrole-2-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)cc1
InChIInChI=1S/C18H23N3O5S/c1-13(2)26-15-5-3-14(4-6-15)20-18(22)17-11-16(12-19-17)27(23,24)21-7-9-25-10-8-21/h3-6,11-13,19H,7-10H2,1-2H3,(H,20,22)
InChIKeyBUEPCLQGDXFRIW-UHFFFAOYSA-N
MW393.47 g/mol
LogP2.08
Rot. Bonds6

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

4-morpholin-4-ylsulfonyl-N-(4-propan-2-yloxyphenyl)-1H-pyrrole-2-carboxamide (PubChem CID 55748899) has the molecular formula C18H23N3O5S and a molecular weight of 393.47 g/mol. Its IUPAC name is 4-morpholin-4-ylsulfonyl-N-(4-propan-2-yloxyphenyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-morpholin-4-ylsulfonyl-N-(4-propan-2-yloxyphenyl)-1H-pyrrole-2-carboxamide
PubChem CID55748899
Molecular FormulaC18H23N3O5S
Molecular Weight393.47 g/mol
Exact Mass393.14
IUPAC Name4-morpholin-4-ylsulfonyl-N-(4-propan-2-yloxyphenyl)-1H-pyrrole-2-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)cc1
InChIInChI=1S/C18H23N3O5S/c1-13(2)26-15-5-3-14(4-6-15)20-18(22)17-11-16(12-19-17)27(23,24)21-7-9-25-10-8-21/h3-6,11-13,19H,7-10H2,1-2H3,(H,20,22)
InChIKeyBUEPCLQGDXFRIW-UHFFFAOYSA-N
XLogP2.08
TPSA100.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-propan-2-yloxyphenyl)-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 46423561
N-(4-ethylphenyl)-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 18106133
4-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 34298858
N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 55855284
N-(4-methoxyphenyl)-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 22551854
N-(3-morpholin-4-ylsulfonylphenyl)-4-propan-2-yloxybenzamide
CID 7759035
N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 55413160
2-(4-fluorophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 3153549
4-morpholin-4-ylsulfonyl-N-propyl-1H-pyrrole-2-carboxamide
CID 18104892
N-[2-(difluoromethylsulfanyl)phenyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 36671680
N-[1-(ethylamino)-1-oxopropan-2-yl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 51110547
N-[1-(4-chlorophenyl)-2-methylpropyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 46513564

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-ylsulfonyl-N-(4-propan-2-yloxyphenyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-morpholin-4-ylsulfonyl-N-(4-propan-2-yloxyphenyl)-1H-pyrrole-2-carboxamide (CID 55748899) is 4-morpholin-4-ylsulfonyl-N-(4-propan-2-yloxyphenyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-morpholin-4-ylsulfonyl-N-(4-propan-2-yloxyphenyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-morpholin-4-ylsulfonyl-N-(4-propan-2-yloxyphenyl)-1H-pyrrole-2-carboxamide is CC(C)Oc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)cc1.
What is the InChIKey of 4-morpholin-4-ylsulfonyl-N-(4-propan-2-yloxyphenyl)-1H-pyrrole-2-carboxamide?
The InChIKey is BUEPCLQGDXFRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5S/c1-13(2)26-15-5-3-14(4-6-15)20-18(22)17-11-16(12-19-17)27(23,24)21-7-9-25-10-8-21/h3-6,11-13,19H,7-10H2,1-2H3,(H,20,22).
What are the key properties of 4-morpholin-4-ylsulfonyl-N-(4-propan-2-yloxyphenyl)-1H-pyrrole-2-carboxamide?
4-morpholin-4-ylsulfonyl-N-(4-propan-2-yloxyphenyl)-1H-pyrrole-2-carboxamide has a molecular weight of 393.47 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-ylsulfonyl-N-(4-propan-2-yloxyphenyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 55748899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).