N-methyl-N-[2-(4-methylphenoxy)ethyl]-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide

C19H25N3O4S — CID 18119321

IUPACN-methyl-N-[2-(4-methylphenoxy)ethyl]-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
SMILESCc1ccc(OCCN(C)C(=O)c2cc(S(=O)(=O)N3CCCC3)c[nH]2)cc1
InChIInChI=1S/C19H25N3O4S/c1-15-5-7-16(8-6-15)26-12-11-21(2)19(23)18-13-17(14-20-18)27(24,25)22-9-3-4-10-22/h5-8,13-14,20H,3-4,9-12H2,1-2H3
InChIKeyRWFYRDVJCDNUPH-UHFFFAOYSA-N
MW391.49 g/mol
LogP2.26
Rot. Bonds7

About N-methyl-N-[2-(4-methylphenoxy)ethyl]-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide

N-methyl-N-[2-(4-methylphenoxy)ethyl]-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide (PubChem CID 18119321) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is N-methyl-N-[2-(4-methylphenoxy)ethyl]-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-(4-methylphenoxy)ethyl]-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
PubChem CID18119321
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC NameN-methyl-N-[2-(4-methylphenoxy)ethyl]-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
SMILESCc1ccc(OCCN(C)C(=O)c2cc(S(=O)(=O)N3CCCC3)c[nH]2)cc1
InChIInChI=1S/C19H25N3O4S/c1-15-5-7-16(8-6-15)26-12-11-21(2)19(23)18-13-17(14-20-18)27(24,25)22-9-3-4-10-22/h5-8,13-14,20H,3-4,9-12H2,1-2H3
InChIKeyRWFYRDVJCDNUPH-UHFFFAOYSA-N
XLogP2.26
TPSA82.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[2-(2-methylphenoxy)ethyl]-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 18120203
4-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]-1H-pyrrole-2-carboxamide
CID 61139584
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 38011365
N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethyl-5-piperidin-1-ylsulfonylbenzamide
CID 31285060
4-(azepan-1-ylsulfonyl)-N-methyl-N-(2-phenoxyethyl)benzamide
CID 8960788
3-(azepan-1-ylsulfonyl)-N-methyl-N-(2-phenoxyethyl)benzamide
CID 31213484
N-(1-hydroxypropan-2-yl)-N-methyl-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 115869488
4-fluoro-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 26994062
(2S)-N-methyl-N-[2-(4-methylphenoxy)ethyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 31641558
N-methyl-N-[2-(4-methylphenoxy)ethyl]piperidine-1-sulfonamide
CID 134025780
N-[2-(3-chlorophenoxy)ethyl]-N-methyl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9246729
N-methyl-N-(3-phenoxypropyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 38580276

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(4-methylphenoxy)ethyl]-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide?
The IUPAC name of N-methyl-N-[2-(4-methylphenoxy)ethyl]-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide (CID 18119321) is N-methyl-N-[2-(4-methylphenoxy)ethyl]-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-methyl-N-[2-(4-methylphenoxy)ethyl]-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-methyl-N-[2-(4-methylphenoxy)ethyl]-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide is Cc1ccc(OCCN(C)C(=O)c2cc(S(=O)(=O)N3CCCC3)c[nH]2)cc1.
What is the InChIKey of N-methyl-N-[2-(4-methylphenoxy)ethyl]-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide?
The InChIKey is RWFYRDVJCDNUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-15-5-7-16(8-6-15)26-12-11-21(2)19(23)18-13-17(14-20-18)27(24,25)22-9-3-4-10-22/h5-8,13-14,20H,3-4,9-12H2,1-2H3.
What are the key properties of N-methyl-N-[2-(4-methylphenoxy)ethyl]-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide?
N-methyl-N-[2-(4-methylphenoxy)ethyl]-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide has a molecular weight of 391.49 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(4-methylphenoxy)ethyl]-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 18119321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).