N,2,5-trimethyl-N-(3-methylphenyl)-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide

C20H27N3O3S — CID 20945253

IUPACN,2,5-trimethyl-N-(3-methylphenyl)-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
SMILESCc1cccc(N(C)S(=O)(=O)c2c(C)[nH]c(C)c2C(=O)N2CCCCC2)c1
InChIInChI=1S/C20H27N3O3S/c1-14-9-8-10-17(13-14)22(4)27(25,26)19-16(3)21-15(2)18(19)20(24)23-11-6-5-7-12-23/h8-10,13,21H,5-7,11-12H2,1-4H3
InChIKeyDWZXKUXZSFRSJE-UHFFFAOYSA-N
MW389.52 g/mol
LogP3.39
Rot. Bonds4

About N,2,5-trimethyl-N-(3-methylphenyl)-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide

N,2,5-trimethyl-N-(3-methylphenyl)-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide (PubChem CID 20945253) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is N,2,5-trimethyl-N-(3-methylphenyl)-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN,2,5-trimethyl-N-(3-methylphenyl)-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
PubChem CID20945253
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC NameN,2,5-trimethyl-N-(3-methylphenyl)-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
SMILESCc1cccc(N(C)S(=O)(=O)c2c(C)[nH]c(C)c2C(=O)N2CCCCC2)c1
InChIInChI=1S/C20H27N3O3S/c1-14-9-8-10-17(13-14)22(4)27(25,26)19-16(3)21-15(2)18(19)20(24)23-11-6-5-7-12-23/h8-10,13,21H,5-7,11-12H2,1-4H3
InChIKeyDWZXKUXZSFRSJE-UHFFFAOYSA-N
XLogP3.39
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methoxyphenyl)methyl]-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 20945230
N-(2,3-dimethylphenyl)-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 20945178
2,5-dimethyl-N-[(4-methylphenyl)methyl]-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 20945071
2,5-dimethyl-N-[(2-methylphenyl)methyl]-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 20945265
N-(2-fluorophenyl)-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 20945185
N-(5-chloro-2-methylphenyl)-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 20945171
N-(3-fluoro-4-methylphenyl)-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 20945238
azocan-1-yl-(3-methylphenyl)methanone
CID 3308040
N-(2,4-dimethylphenyl)-3-[[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonylamino]propanamide
CID 46321445
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-methylphenyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]methanesulfonamide
CID 95118898

Frequently Asked Questions

What is the IUPAC name of N,2,5-trimethyl-N-(3-methylphenyl)-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide?
The IUPAC name of N,2,5-trimethyl-N-(3-methylphenyl)-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide (CID 20945253) is N,2,5-trimethyl-N-(3-methylphenyl)-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for N,2,5-trimethyl-N-(3-methylphenyl)-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide?
The canonical SMILES for N,2,5-trimethyl-N-(3-methylphenyl)-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide is Cc1cccc(N(C)S(=O)(=O)c2c(C)[nH]c(C)c2C(=O)N2CCCCC2)c1.
What is the InChIKey of N,2,5-trimethyl-N-(3-methylphenyl)-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide?
The InChIKey is DWZXKUXZSFRSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-14-9-8-10-17(13-14)22(4)27(25,26)19-16(3)21-15(2)18(19)20(24)23-11-6-5-7-12-23/h8-10,13,21H,5-7,11-12H2,1-4H3.
What are the key properties of N,2,5-trimethyl-N-(3-methylphenyl)-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide?
N,2,5-trimethyl-N-(3-methylphenyl)-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide has a molecular weight of 389.52 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,5-trimethyl-N-(3-methylphenyl)-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 20945253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).