(E)-3-[4-(methanesulfonamido)phenyl]-N-(4-phenylbutan-2-yl)prop-2-enamide

C20H24N2O3S — CID 51333617

IUPAC(E)-3-[4-(methanesulfonamido)phenyl]-N-(4-phenylbutan-2-yl)prop-2-enamide
SMILESCC(CCc1ccccc1)NC(=O)/C=C/c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C20H24N2O3S/c1-16(8-9-17-6-4-3-5-7-17)21-20(23)15-12-18-10-13-19(14-11-18)22-26(2,24)25/h3-7,10-16,22H,8-9H2,1-2H3,(H,21,23)/b15-12+
InChIKeyLPSDEMRQYVXOLS-NTCAYCPXSA-N
MW372.49 g/mol
LogP3.21
Rot. Bonds8

About (E)-3-[4-(methanesulfonamido)phenyl]-N-(4-phenylbutan-2-yl)prop-2-enamide

(E)-3-[4-(methanesulfonamido)phenyl]-N-(4-phenylbutan-2-yl)prop-2-enamide (PubChem CID 51333617) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is (E)-3-[4-(methanesulfonamido)phenyl]-N-(4-phenylbutan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-(methanesulfonamido)phenyl]-N-(4-phenylbutan-2-yl)prop-2-enamide
PubChem CID51333617
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name(E)-3-[4-(methanesulfonamido)phenyl]-N-(4-phenylbutan-2-yl)prop-2-enamide
SMILESCC(CCc1ccccc1)NC(=O)/C=C/c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C20H24N2O3S/c1-16(8-9-17-6-4-3-5-7-17)21-20(23)15-12-18-10-13-19(14-11-18)22-26(2,24)25/h3-7,10-16,22H,8-9H2,1-2H3,(H,21,23)/b15-12+
InChIKeyLPSDEMRQYVXOLS-NTCAYCPXSA-N
XLogP3.21
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-bromophenyl)-N-[(2R)-4-phenylbutan-2-yl]prop-2-enamide
CID 1001333
(E)-3-(4-nitrophenyl)-N-[(2S)-4-phenylbutan-2-yl]prop-2-enamide
CID 51417547
(E)-3-[4-(difluoromethoxy)phenyl]-N-[(2R)-4-phenylbutan-2-yl]prop-2-enamide
CID 7958328
3-(3,4-dimethoxyphenyl)-N-[(2R)-4-phenylbutan-2-yl]prop-2-enamide
CID 808594
3-(3,4-dimethoxyphenyl)-N-(4-phenylbutan-2-yl)prop-2-enamide
CID 3145412
(E)-3-(3-chlorophenyl)-N-(4-phenylbutan-2-yl)prop-2-enamide
CID 6241128
2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-(4-phenylbutan-2-yl)propanamide
CID 51157915
3-(methanesulfonamido)-N-(4-phenylbutan-2-yl)benzamide
CID 18107551
(E)-N-[1-(4-fluorophenyl)ethyl]-3-[4-(methanesulfonamido)phenyl]prop-2-enamide
CID 24685920
3-(methanesulfonamido)-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 41453393
N-(4-phenylbutan-2-yl)hexa-2,4-dienamide
CID 78784970
(E)-3-(4-aminophenyl)-N-(1-phenylpropan-2-yl)prop-2-enamide
CID 115344062

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(methanesulfonamido)phenyl]-N-(4-phenylbutan-2-yl)prop-2-enamide?
The IUPAC name of (E)-3-[4-(methanesulfonamido)phenyl]-N-(4-phenylbutan-2-yl)prop-2-enamide (CID 51333617) is (E)-3-[4-(methanesulfonamido)phenyl]-N-(4-phenylbutan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-[4-(methanesulfonamido)phenyl]-N-(4-phenylbutan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-3-[4-(methanesulfonamido)phenyl]-N-(4-phenylbutan-2-yl)prop-2-enamide is CC(CCc1ccccc1)NC(=O)/C=C/c1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of (E)-3-[4-(methanesulfonamido)phenyl]-N-(4-phenylbutan-2-yl)prop-2-enamide?
The InChIKey is LPSDEMRQYVXOLS-NTCAYCPXSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-16(8-9-17-6-4-3-5-7-17)21-20(23)15-12-18-10-13-19(14-11-18)22-26(2,24)25/h3-7,10-16,22H,8-9H2,1-2H3,(H,21,23)/b15-12+.
What are the key properties of (E)-3-[4-(methanesulfonamido)phenyl]-N-(4-phenylbutan-2-yl)prop-2-enamide?
(E)-3-[4-(methanesulfonamido)phenyl]-N-(4-phenylbutan-2-yl)prop-2-enamide has a molecular weight of 372.49 g/mol, XLogP of 3.21, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(methanesulfonamido)phenyl]-N-(4-phenylbutan-2-yl)prop-2-enamide is sourced from PubChem (CID 51333617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).