N-(2-aminoethyl)-N-(2-phenylethyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide

C19H26N4O3S — CID 120895508

IUPACN-(2-aminoethyl)-N-(2-phenylethyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
SMILESNCCN(CCc1ccccc1)S(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1
InChIInChI=1S/C19H26N4O3S/c20-9-13-23(12-8-16-6-2-1-3-7-16)27(25,26)17-14-18(21-15-17)19(24)22-10-4-5-11-22/h1-3,6-7,14-15,21H,4-5,8-13,20H2
InChIKeyMYCFVJWEGOEQJZ-UHFFFAOYSA-N
MW390.51 g/mol
LogP1.44
Rot. Bonds8

About N-(2-aminoethyl)-N-(2-phenylethyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide

N-(2-aminoethyl)-N-(2-phenylethyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide (PubChem CID 120895508) has the molecular formula C19H26N4O3S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-(2-phenylethyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-(2-phenylethyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
PubChem CID120895508
Molecular FormulaC19H26N4O3S
Molecular Weight390.51 g/mol
Exact Mass390.17
IUPAC NameN-(2-aminoethyl)-N-(2-phenylethyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
SMILESNCCN(CCc1ccccc1)S(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1
InChIInChI=1S/C19H26N4O3S/c20-9-13-23(12-8-16-6-2-1-3-7-16)27(25,26)17-14-18(21-15-17)19(24)22-10-4-5-11-22/h1-3,6-7,14-15,21H,4-5,8-13,20H2
InChIKeyMYCFVJWEGOEQJZ-UHFFFAOYSA-N
XLogP1.44
TPSA99.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminopropyl)-N-benzyl-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide;hydrochloride
CID 120664151
N-(3-phenylpropyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 35295357
N-(furan-2-ylmethyl)-N-phenyl-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 47062923
N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 60540058
N-(2-aminoethyl)-N-(2-phenylethyl)-4-(propan-2-ylsulfamoyl)-1H-pyrrole-2-carboxamide;hydrochloride
CID 120884463
4-acetyl-N-(2-aminoethyl)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
CID 120895597
N-(2-aminoethyl)-N-(2-phenylethyl)-1,3-benzodioxole-5-sulfonamide
CID 120895889
N-(2-phenylphenyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 36621565
N-[(2-fluorophenyl)methyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 35300489
N-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)thiophene-3-sulfonamide
CID 120895933
piperidin-1-yl-(4-pyrrolidin-1-ylsulfonyl-1H-pyrrol-2-yl)methanone
CID 18108104
[4-(4-phenylpiperidin-1-yl)sulfonyl-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone
CID 134006754

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-(2-phenylethyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide?
The IUPAC name of N-(2-aminoethyl)-N-(2-phenylethyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide (CID 120895508) is N-(2-aminoethyl)-N-(2-phenylethyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-N-(2-phenylethyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide?
The canonical SMILES for N-(2-aminoethyl)-N-(2-phenylethyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide is NCCN(CCc1ccccc1)S(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1.
What is the InChIKey of N-(2-aminoethyl)-N-(2-phenylethyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide?
The InChIKey is MYCFVJWEGOEQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3S/c20-9-13-23(12-8-16-6-2-1-3-7-16)27(25,26)17-14-18(21-15-17)19(24)22-10-4-5-11-22/h1-3,6-7,14-15,21H,4-5,8-13,20H2.
What are the key properties of N-(2-aminoethyl)-N-(2-phenylethyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide?
N-(2-aminoethyl)-N-(2-phenylethyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide has a molecular weight of 390.51 g/mol, XLogP of 1.44, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-(2-phenylethyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 120895508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).