N-[1-(4-chlorophenyl)-2-methylpropyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide

C19H24ClN3O4S — CID 46513564

IUPACN-[1-(4-chlorophenyl)-2-methylpropyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
SMILESCC(C)C(NC(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1)c1ccc(Cl)cc1
InChIInChI=1S/C19H24ClN3O4S/c1-13(2)18(14-3-5-15(20)6-4-14)22-19(24)17-11-16(12-21-17)28(25,26)23-7-9-27-10-8-23/h3-6,11-13,18,21H,7-10H2,1-2H3,(H,22,24)
InChIKeyQDJAHLYMNYMNNB-UHFFFAOYSA-N
MW425.94 g/mol
LogP2.82
Rot. Bonds6

About N-[1-(4-chlorophenyl)-2-methylpropyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide

N-[1-(4-chlorophenyl)-2-methylpropyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide (PubChem CID 46513564) has the molecular formula C19H24ClN3O4S and a molecular weight of 425.94 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-2-methylpropyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-2-methylpropyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
PubChem CID46513564
Molecular FormulaC19H24ClN3O4S
Molecular Weight425.94 g/mol
Exact Mass425.12
IUPAC NameN-[1-(4-chlorophenyl)-2-methylpropyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
SMILESCC(C)C(NC(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1)c1ccc(Cl)cc1
InChIInChI=1S/C19H24ClN3O4S/c1-13(2)18(14-3-5-15(20)6-4-14)22-19(24)17-11-16(12-21-17)28(25,26)23-7-9-27-10-8-23/h3-6,11-13,18,21H,7-10H2,1-2H3,(H,22,24)
InChIKeyQDJAHLYMNYMNNB-UHFFFAOYSA-N
XLogP2.82
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.94
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-5-morpholin-4-ylsulfonylbenzamide
CID 46513241
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 39995974
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 55415318
N-[1-(ethylamino)-1-oxopropan-2-yl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 51110547
N-(3-chloro-4-propan-2-yloxyphenyl)-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 46423561
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-[(1S)-1-(4-chlorophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 7733419
N-[(4-fluoro-3-methylphenyl)methyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 18129849
[1-(2,3-dichloroanilino)-1-oxopropan-2-yl] 4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxylate
CID 55427544
N-(4-ethylphenyl)-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 18106133
N-[(2,4-dimethylphenyl)methyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 55582668

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-2-methylpropyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[1-(4-chlorophenyl)-2-methylpropyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide (CID 46513564) is N-[1-(4-chlorophenyl)-2-methylpropyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-2-methylpropyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-2-methylpropyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide is CC(C)C(NC(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)-2-methylpropyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide?
The InChIKey is QDJAHLYMNYMNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O4S/c1-13(2)18(14-3-5-15(20)6-4-14)22-19(24)17-11-16(12-21-17)28(25,26)23-7-9-27-10-8-23/h3-6,11-13,18,21H,7-10H2,1-2H3,(H,22,24).
What are the key properties of N-[1-(4-chlorophenyl)-2-methylpropyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide?
N-[1-(4-chlorophenyl)-2-methylpropyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide has a molecular weight of 425.94 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-2-methylpropyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 46513564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).