N-[4-(dipropylsulfamoyl)phenyl]-3-thiophen-2-ylprop-2-enamide

C19H24N2O3S2 — CID 4929254

IUPACN-[4-(dipropylsulfamoyl)phenyl]-3-thiophen-2-ylprop-2-enamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(NC(=O)C=Cc2cccs2)cc1
InChIInChI=1S/C19H24N2O3S2/c1-3-13-21(14-4-2)26(23,24)18-10-7-16(8-11-18)20-19(22)12-9-17-6-5-15-25-17/h5-12,15H,3-4,13-14H2,1-2H3,(H,20,22)
InChIKeyPXWQHIXGMQRMDT-UHFFFAOYSA-N
MW392.55 g/mol
LogP4.21
Rot. Bonds9

About N-[4-(dipropylsulfamoyl)phenyl]-3-thiophen-2-ylprop-2-enamide

N-[4-(dipropylsulfamoyl)phenyl]-3-thiophen-2-ylprop-2-enamide (PubChem CID 4929254) has the molecular formula C19H24N2O3S2 and a molecular weight of 392.55 g/mol. Its IUPAC name is N-[4-(dipropylsulfamoyl)phenyl]-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound NameN-[4-(dipropylsulfamoyl)phenyl]-3-thiophen-2-ylprop-2-enamide
PubChem CID4929254
Molecular FormulaC19H24N2O3S2
Molecular Weight392.55 g/mol
Exact Mass392.12
IUPAC NameN-[4-(dipropylsulfamoyl)phenyl]-3-thiophen-2-ylprop-2-enamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(NC(=O)C=Cc2cccs2)cc1
InChIInChI=1S/C19H24N2O3S2/c1-3-13-21(14-4-2)26(23,24)18-10-7-16(8-11-18)20-19(22)12-9-17-6-5-15-25-17/h5-12,15H,3-4,13-14H2,1-2H3,(H,20,22)
InChIKeyPXWQHIXGMQRMDT-UHFFFAOYSA-N
XLogP4.21
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(dimethylamino)phenyl]-3-thiophen-2-ylprop-2-enamide
CID 3336553
(E)-N-[4-(dipropylsulfamoyl)phenyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 6233289
N-[[4-[bis(prop-2-enyl)sulfamoyl]phenyl]carbamothioyl]-3-thiophen-2-ylprop-2-enamide
CID 4778448
(E)-3-thiophen-2-yl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]prop-2-enamide
CID 9474835
(E)-N-[4-(dipropylsulfamoyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 6259894
(E)-3-thiophen-2-yl-N-[4-[4-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]phenoxy]phenyl]prop-2-enamide
CID 2165477
N,N'-bis[4-(dipropylsulfamoyl)phenyl]decanediamide
CID 17080128
(E)-N-(4-hydroxyphenyl)-3-thiophen-2-ylprop-2-enamide
CID 28739526
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-thiophen-2-ylprop-2-enamide
CID 4810921
(E)-N-(4-heptoxyphenyl)-3-thiophen-2-ylprop-2-enamide
CID 6235244
(E)-N-[4-(2-hydroxyethyl)phenyl]-3-thiophen-2-ylprop-2-enamide
CID 110902147
[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 8648488

Frequently Asked Questions

What is the IUPAC name of N-[4-(dipropylsulfamoyl)phenyl]-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of N-[4-(dipropylsulfamoyl)phenyl]-3-thiophen-2-ylprop-2-enamide (CID 4929254) is N-[4-(dipropylsulfamoyl)phenyl]-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for N-[4-(dipropylsulfamoyl)phenyl]-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for N-[4-(dipropylsulfamoyl)phenyl]-3-thiophen-2-ylprop-2-enamide is CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)C=Cc2cccs2)cc1.
What is the InChIKey of N-[4-(dipropylsulfamoyl)phenyl]-3-thiophen-2-ylprop-2-enamide?
The InChIKey is PXWQHIXGMQRMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S2/c1-3-13-21(14-4-2)26(23,24)18-10-7-16(8-11-18)20-19(22)12-9-17-6-5-15-25-17/h5-12,15H,3-4,13-14H2,1-2H3,(H,20,22).
What are the key properties of N-[4-(dipropylsulfamoyl)phenyl]-3-thiophen-2-ylprop-2-enamide?
N-[4-(dipropylsulfamoyl)phenyl]-3-thiophen-2-ylprop-2-enamide has a molecular weight of 392.55 g/mol, XLogP of 4.21, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dipropylsulfamoyl)phenyl]-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 4929254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).