N-(3-methoxyphenyl)-3,5-dimethyl-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide

C18H23N3O5S — CID 53059573

IUPACN-(3-methoxyphenyl)-3,5-dimethyl-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
SMILESCOc1cccc(NC(=O)c2[nH]c(C)c(S(=O)(=O)N3CCOCC3)c2C)c1
InChIInChI=1S/C18H23N3O5S/c1-12-16(18(22)20-14-5-4-6-15(11-14)25-3)19-13(2)17(12)27(23,24)21-7-9-26-10-8-21/h4-6,11,19H,7-10H2,1-3H3,(H,20,22)
InChIKeyAGRUOMDHXBHPCL-UHFFFAOYSA-N
MW393.47 g/mol
LogP1.91
Rot. Bonds5

About N-(3-methoxyphenyl)-3,5-dimethyl-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide

N-(3-methoxyphenyl)-3,5-dimethyl-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide (PubChem CID 53059573) has the molecular formula C18H23N3O5S and a molecular weight of 393.47 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-3,5-dimethyl-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-3,5-dimethyl-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
PubChem CID53059573
Molecular FormulaC18H23N3O5S
Molecular Weight393.47 g/mol
Exact Mass393.14
IUPAC NameN-(3-methoxyphenyl)-3,5-dimethyl-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
SMILESCOc1cccc(NC(=O)c2[nH]c(C)c(S(=O)(=O)N3CCOCC3)c2C)c1
InChIInChI=1S/C18H23N3O5S/c1-12-16(18(22)20-14-5-4-6-15(11-14)25-3)19-13(2)17(12)27(23,24)21-7-9-26-10-8-21/h4-6,11,19H,7-10H2,1-3H3,(H,20,22)
InChIKeyAGRUOMDHXBHPCL-UHFFFAOYSA-N
XLogP1.91
TPSA100.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethyl-N-(4-methylphenyl)-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 53059631
N-(4-ethoxyphenyl)-3,5-dimethyl-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 53059597
N-(4-ethylphenyl)-3,5-dimethyl-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 53059589
N-(2-ethyl-6-methylphenyl)-3,5-dimethyl-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 53059613
N-(3-bromophenyl)-3,5-dimethyl-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 53005326
2-hydroxy-N-(3-methoxyphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 43853473
3,5-dimethyl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 53059455
(3,5-dimethyl-4-morpholin-4-ylsulfonyl-1H-pyrrol-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 53005346
N-(2-methoxyphenyl)-3,5-dimethyl-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 53059485
propan-2-yl 5-[(3-methoxyphenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 27167428
propan-2-yl 2,4-dimethyl-5-[(4-methyl-3-morpholin-4-ylsulfonylphenyl)carbamoyl]-1H-pyrrole-3-carboxylate
CID 26787033
4-(azepan-1-ylsulfonyl)-N-(3,5-dimethylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 53059704

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-3,5-dimethyl-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-3,5-dimethyl-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide (CID 53059573) is N-(3-methoxyphenyl)-3,5-dimethyl-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-3,5-dimethyl-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-3,5-dimethyl-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide is COc1cccc(NC(=O)c2[nH]c(C)c(S(=O)(=O)N3CCOCC3)c2C)c1.
What is the InChIKey of N-(3-methoxyphenyl)-3,5-dimethyl-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide?
The InChIKey is AGRUOMDHXBHPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5S/c1-12-16(18(22)20-14-5-4-6-15(11-14)25-3)19-13(2)17(12)27(23,24)21-7-9-26-10-8-21/h4-6,11,19H,7-10H2,1-3H3,(H,20,22).
What are the key properties of N-(3-methoxyphenyl)-3,5-dimethyl-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide?
N-(3-methoxyphenyl)-3,5-dimethyl-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide has a molecular weight of 393.47 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-3,5-dimethyl-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 53059573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).