N-[(3-methoxyphenyl)methyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide

C17H21N3O5S — CID 18104587

IUPACN-[(3-methoxyphenyl)methyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)c1
InChIInChI=1S/C17H21N3O5S/c1-24-14-4-2-3-13(9-14)11-19-17(21)16-10-15(12-18-16)26(22,23)20-5-7-25-8-6-20/h2-4,9-10,12,18H,5-8,11H2,1H3,(H,19,21)
InChIKeyCORPCVFHDKOHCF-UHFFFAOYSA-N
MW379.44 g/mol
LogP0.97
Rot. Bonds6

About N-[(3-methoxyphenyl)methyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide

N-[(3-methoxyphenyl)methyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide (PubChem CID 18104587) has the molecular formula C17H21N3O5S and a molecular weight of 379.44 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
PubChem CID18104587
Molecular FormulaC17H21N3O5S
Molecular Weight379.44 g/mol
Exact Mass379.12
IUPAC NameN-[(3-methoxyphenyl)methyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)c1
InChIInChI=1S/C17H21N3O5S/c1-24-14-4-2-3-13(9-14)11-19-17(21)16-10-15(12-18-16)26(22,23)20-5-7-25-8-6-20/h2-4,9-10,12,18H,5-8,11H2,1H3,(H,19,21)
InChIKeyCORPCVFHDKOHCF-UHFFFAOYSA-N
XLogP0.97
TPSA100.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluoro-3-methylphenyl)methyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 18129849
N-[(3-methoxyphenyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 27231712
4-morpholin-4-ylsulfonyl-N-[[2-(phenylmethoxymethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide
CID 55694656
4-morpholin-4-ylsulfonyl-N-propyl-1H-pyrrole-2-carboxamide
CID 18104892
N-[(2,4-dimethylphenyl)methyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 55582668
N-[(3-methoxyphenyl)methyl]-3-morpholin-4-ylsulfonylbenzenesulfonamide
CID 1456436
4-chloro-N-[(3-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide
CID 18104585
N-[(3-methoxyphenyl)methyl]-1-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide
CID 142851230
N-[(3-methoxyphenyl)methyl]-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 20973692
N-(4-ethylphenyl)-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 18106133
N-[(4-methoxyphenyl)methyl]-4-morpholin-4-ylsulfonylbenzamide
CID 2429764
N-[(3,5-dimethoxyphenyl)methyl]-2-morpholin-4-ylsulfonylbenzamide
CID 55625602

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide (CID 18104587) is N-[(3-methoxyphenyl)methyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide is COc1cccc(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide?
The InChIKey is CORPCVFHDKOHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O5S/c1-24-14-4-2-3-13(9-14)11-19-17(21)16-10-15(12-18-16)26(22,23)20-5-7-25-8-6-20/h2-4,9-10,12,18H,5-8,11H2,1H3,(H,19,21).
What are the key properties of N-[(3-methoxyphenyl)methyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide?
N-[(3-methoxyphenyl)methyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide has a molecular weight of 379.44 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 18104587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).