(Z)-2-methyl-3-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide

C20H22N2O3S — CID 1305015

IUPAC(Z)-2-methyl-3-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide
SMILESC/C(=C/c1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C20H22N2O3S/c1-16(15-17-7-3-2-4-8-17)20(23)21-18-9-11-19(12-10-18)26(24,25)22-13-5-6-14-22/h2-4,7-12,15H,5-6,13-14H2,1H3,(H,21,23)/b16-15-
InChIKeyKBSHYDDWTVJYDL-NXVVXOECSA-N
MW370.47 g/mol
LogP3.51
Rot. Bonds5

About (Z)-2-methyl-3-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide

(Z)-2-methyl-3-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide (PubChem CID 1305015) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is (Z)-2-methyl-3-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-methyl-3-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide
PubChem CID1305015
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC Name(Z)-2-methyl-3-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide
SMILESC/C(=C/c1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C20H22N2O3S/c1-16(15-17-7-3-2-4-8-17)20(23)21-18-9-11-19(12-10-18)26(24,25)22-13-5-6-14-22/h2-4,7-12,15H,5-6,13-14H2,1H3,(H,21,23)/b16-15-
InChIKeyKBSHYDDWTVJYDL-NXVVXOECSA-N
XLogP3.51
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-3-phenylprop-2-enamide
CID 1309506
3-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide
CID 1334857
(E)-N-[4-(azepan-1-ylsulfonyl)phenyl]-3-phenylprop-2-enamide
CID 1185492
N-[4-(butan-2-ylsulfamoyl)phenyl]-2-methyl-3-phenylprop-2-enamide
CID 4053661
(E)-3-(2-chlorophenyl)-2-phenyl-N-(4-piperidin-1-ylsulfonylphenyl)prop-2-enamide
CID 6518487
(E)-N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(furan-2-yl)-2-phenylprop-2-enamide
CID 6505286
3-(benzenesulfonyl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 3163464
(Z)-N-[2-[4-(azepan-1-ylsulfonyl)phenyl]ethyl]-2,3-diphenylprop-2-enamide
CID 108759486
N-(4-acetylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 650028
(Z)-4-[4-(azepan-1-ylsulfonyl)anilino]-4-oxobut-2-enoic acid
CID 2265448
4-pyrrolidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26252425
2-(benzenesulfonyl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 3160801

Frequently Asked Questions

What is the IUPAC name of (Z)-2-methyl-3-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide?
The IUPAC name of (Z)-2-methyl-3-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide (CID 1305015) is (Z)-2-methyl-3-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-methyl-3-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide?
The canonical SMILES for (Z)-2-methyl-3-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide is C/C(=C/c1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of (Z)-2-methyl-3-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide?
The InChIKey is KBSHYDDWTVJYDL-NXVVXOECSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-16(15-17-7-3-2-4-8-17)20(23)21-18-9-11-19(12-10-18)26(24,25)22-13-5-6-14-22/h2-4,7-12,15H,5-6,13-14H2,1H3,(H,21,23)/b16-15-.
What are the key properties of (Z)-2-methyl-3-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide?
(Z)-2-methyl-3-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide has a molecular weight of 370.47 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methyl-3-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide is sourced from PubChem (CID 1305015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).