N-[(3-methoxyphenyl)methyl]-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide

C20H27N3O4S — CID 20945230

IUPACN-[(3-methoxyphenyl)methyl]-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
SMILESCOc1cccc(CNS(=O)(=O)c2c(C)[nH]c(C)c2C(=O)N2CCCCC2)c1
InChIInChI=1S/C20H27N3O4S/c1-14-18(20(24)23-10-5-4-6-11-23)19(15(2)22-14)28(25,26)21-13-16-8-7-9-17(12-16)27-3/h7-9,12,21-22H,4-6,10-11,13H2,1-3H3
InChIKeyWPKHQORPWOTOGC-UHFFFAOYSA-N
MW405.52 g/mol
LogP2.74
Rot. Bonds6

About N-[(3-methoxyphenyl)methyl]-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide

N-[(3-methoxyphenyl)methyl]-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide (PubChem CID 20945230) has the molecular formula C20H27N3O4S and a molecular weight of 405.52 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
PubChem CID20945230
Molecular FormulaC20H27N3O4S
Molecular Weight405.52 g/mol
Exact Mass405.17
IUPAC NameN-[(3-methoxyphenyl)methyl]-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
SMILESCOc1cccc(CNS(=O)(=O)c2c(C)[nH]c(C)c2C(=O)N2CCCCC2)c1
InChIInChI=1S/C20H27N3O4S/c1-14-18(20(24)23-10-5-4-6-11-23)19(15(2)22-14)28(25,26)21-13-16-8-7-9-17(12-16)27-3/h7-9,12,21-22H,4-6,10-11,13H2,1-3H3
InChIKeyWPKHQORPWOTOGC-UHFFFAOYSA-N
XLogP2.74
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethyl-N-[(2-methylphenyl)methyl]-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 20945265
N-(4-methoxyphenyl)-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 20945163
N-(3,5-dimethoxyphenyl)-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 20945176
N-[(3-methoxyphenyl)methyl]-1-methyl-5-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
CID 53138735
N-[(4-methoxyphenyl)methyl]-1,2,5-trimethyl-4-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide
CID 20945312
N-[(3-methoxyphenyl)methyl]-2-methyl-5-[5-(piperidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-3-sulfonamide
CID 53133514
N,2,5-trimethyl-N-(3-methylphenyl)-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 20945253
N-(4-ethoxyphenyl)-2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 20945074
methyl 5-[(3R)-3-[(3-methoxyphenyl)methylcarbamoyl]piperidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 97043542
methyl 5-[3-[(3-methoxyphenyl)methylcarbamoyl]piperidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 53067429
N-(3-chloro-4-methoxyphenyl)-3-[[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonylamino]propanamide
CID 46321419
N-(2-fluorophenyl)-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 20945185

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide (CID 20945230) is N-[(3-methoxyphenyl)methyl]-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide is COc1cccc(CNS(=O)(=O)c2c(C)[nH]c(C)c2C(=O)N2CCCCC2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide?
The InChIKey is WPKHQORPWOTOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4S/c1-14-18(20(24)23-10-5-4-6-11-23)19(15(2)22-14)28(25,26)21-13-16-8-7-9-17(12-16)27-3/h7-9,12,21-22H,4-6,10-11,13H2,1-3H3.
What are the key properties of N-[(3-methoxyphenyl)methyl]-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide?
N-[(3-methoxyphenyl)methyl]-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide has a molecular weight of 405.52 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 20945230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).