N-(3-chloro-4-propan-2-yloxyphenyl)-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide

C18H22ClN3O5S — CID 46423561

IUPACN-(3-chloro-4-propan-2-yloxyphenyl)-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)cc1Cl
InChIInChI=1S/C18H22ClN3O5S/c1-12(2)27-17-4-3-13(9-15(17)19)21-18(23)16-10-14(11-20-16)28(24,25)22-5-7-26-8-6-22/h3-4,9-12,20H,5-8H2,1-2H3,(H,21,23)
InChIKeyOEACGHKBDIYBGS-UHFFFAOYSA-N
MW427.91 g/mol
LogP2.73
Rot. Bonds6

About N-(3-chloro-4-propan-2-yloxyphenyl)-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide

N-(3-chloro-4-propan-2-yloxyphenyl)-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide (PubChem CID 46423561) has the molecular formula C18H22ClN3O5S and a molecular weight of 427.91 g/mol. Its IUPAC name is N-(3-chloro-4-propan-2-yloxyphenyl)-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-propan-2-yloxyphenyl)-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
PubChem CID46423561
Molecular FormulaC18H22ClN3O5S
Molecular Weight427.91 g/mol
Exact Mass427.10
IUPAC NameN-(3-chloro-4-propan-2-yloxyphenyl)-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)cc1Cl
InChIInChI=1S/C18H22ClN3O5S/c1-12(2)27-17-4-3-13(9-15(17)19)21-18(23)16-10-14(11-20-16)28(24,25)22-5-7-26-8-6-22/h3-4,9-12,20H,5-8H2,1-2H3,(H,21,23)
InChIKeyOEACGHKBDIYBGS-UHFFFAOYSA-N
XLogP2.73
TPSA100.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.91
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-morpholin-4-ylsulfonyl-N-(4-propan-2-yloxyphenyl)-1H-pyrrole-2-carboxamide
CID 55748899
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
4-(3-chloro-4-propan-2-yloxyphenyl)sulfonylmorpholine
CID 110758270
N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 55413160
2-chloro-N-(3-chloro-4-methoxyphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 26822987
N-[1-(4-chlorophenyl)-2-methylpropyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 46513564
N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 55855284
[1-(2,3-dichloroanilino)-1-oxopropan-2-yl] 4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxylate
CID 55427544
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-(4-methoxyphenyl)-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 22551854

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-propan-2-yloxyphenyl)-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(3-chloro-4-propan-2-yloxyphenyl)-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide (CID 46423561) is N-(3-chloro-4-propan-2-yloxyphenyl)-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-propan-2-yloxyphenyl)-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-propan-2-yloxyphenyl)-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide is CC(C)Oc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-propan-2-yloxyphenyl)-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide?
The InChIKey is OEACGHKBDIYBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O5S/c1-12(2)27-17-4-3-13(9-15(17)19)21-18(23)16-10-14(11-20-16)28(24,25)22-5-7-26-8-6-22/h3-4,9-12,20H,5-8H2,1-2H3,(H,21,23).
What are the key properties of N-(3-chloro-4-propan-2-yloxyphenyl)-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide?
N-(3-chloro-4-propan-2-yloxyphenyl)-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide has a molecular weight of 427.91 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-propan-2-yloxyphenyl)-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 46423561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).