N-[(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methyl]-3-phenylpropane-1-sulfonamide

C19H28N2O2S — CID 110786300

IUPACN-[(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methyl]-3-phenylpropane-1-sulfonamide
SMILESCc1cc(CNS(=O)(=O)CCCc2ccccc2)c(C)n1C(C)C
InChIInChI=1S/C19H28N2O2S/c1-15(2)21-16(3)13-19(17(21)4)14-20-24(22,23)12-8-11-18-9-6-5-7-10-18/h5-7,9-10,13,15,20H,8,11-12,14H2,1-4H3
InChIKeyKTTRKPJNSLPGFS-UHFFFAOYSA-N
MW348.51 g/mol
LogP3.74
Rot. Bonds8

About N-[(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methyl]-3-phenylpropane-1-sulfonamide

N-[(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methyl]-3-phenylpropane-1-sulfonamide (PubChem CID 110786300) has the molecular formula C19H28N2O2S and a molecular weight of 348.51 g/mol. Its IUPAC name is N-[(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methyl]-3-phenylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methyl]-3-phenylpropane-1-sulfonamide
PubChem CID110786300
Molecular FormulaC19H28N2O2S
Molecular Weight348.51 g/mol
Exact Mass348.19
IUPAC NameN-[(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methyl]-3-phenylpropane-1-sulfonamide
SMILESCc1cc(CNS(=O)(=O)CCCc2ccccc2)c(C)n1C(C)C
InChIInChI=1S/C19H28N2O2S/c1-15(2)21-16(3)13-19(17(21)4)14-20-24(22,23)12-8-11-18-9-6-5-7-10-18/h5-7,9-10,13,15,20H,8,11-12,14H2,1-4H3
InChIKeyKTTRKPJNSLPGFS-UHFFFAOYSA-N
XLogP3.74
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.51
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methyl]-3-phenylpropane-1-sulfonamide?
The IUPAC name of N-[(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methyl]-3-phenylpropane-1-sulfonamide (CID 110786300) is N-[(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methyl]-3-phenylpropane-1-sulfonamide.
What is the SMILES notation for N-[(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methyl]-3-phenylpropane-1-sulfonamide?
The canonical SMILES for N-[(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methyl]-3-phenylpropane-1-sulfonamide is Cc1cc(CNS(=O)(=O)CCCc2ccccc2)c(C)n1C(C)C.
What is the InChIKey of N-[(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methyl]-3-phenylpropane-1-sulfonamide?
The InChIKey is KTTRKPJNSLPGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2S/c1-15(2)21-16(3)13-19(17(21)4)14-20-24(22,23)12-8-11-18-9-6-5-7-10-18/h5-7,9-10,13,15,20H,8,11-12,14H2,1-4H3.
What are the key properties of N-[(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methyl]-3-phenylpropane-1-sulfonamide?
N-[(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methyl]-3-phenylpropane-1-sulfonamide has a molecular weight of 348.51 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methyl]-3-phenylpropane-1-sulfonamide is sourced from PubChem (CID 110786300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).