1-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-pyridin-3-ylthiourea

C20H20N4O3S2 — CID 25043088

IUPAC1-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-pyridin-3-ylthiourea
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(NC(=S)Nc3cccnc3)cc2)cc1
InChIInChI=1S/C20H20N4O3S2/c1-2-27-18-9-5-16(6-10-18)24-29(25,26)19-11-7-15(8-12-19)22-20(28)23-17-4-3-13-21-14-17/h3-14,24H,2H2,1H3,(H2,22,23,28)
InChIKeyRCVRCUFYXPOCTD-UHFFFAOYSA-N
MW428.54 g/mol
LogP4.09
Rot. Bonds7

About 1-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-pyridin-3-ylthiourea

1-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-pyridin-3-ylthiourea (PubChem CID 25043088) has the molecular formula C20H20N4O3S2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 1-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-pyridin-3-ylthiourea.

Molecular Properties

Compound Name1-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-pyridin-3-ylthiourea
PubChem CID25043088
Molecular FormulaC20H20N4O3S2
Molecular Weight428.54 g/mol
Exact Mass428.10
IUPAC Name1-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-pyridin-3-ylthiourea
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(NC(=S)Nc3cccnc3)cc2)cc1
InChIInChI=1S/C20H20N4O3S2/c1-2-27-18-9-5-16(6-10-18)24-29(25,26)19-11-7-15(8-12-19)22-20(28)23-17-4-3-13-21-14-17/h3-14,24H,2H2,1H3,(H2,22,23,28)
InChIKeyRCVRCUFYXPOCTD-UHFFFAOYSA-N
XLogP4.09
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-pyridin-3-ylthiourea
CID 25041089
1-(4-ethoxyphenyl)-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]thiourea
CID 25043569
N-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-2-phenylacetamide
CID 3308515
1-(4-ethoxyphenyl)-3-[4-[(4-ethoxyphenyl)sulfamoyl]-2-methoxyphenyl]thiourea
CID 25039303
4-ethoxy-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 4948543
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 167768510
N-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-4-(2-methoxyethoxy)benzamide
CID 17353780
1-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-pyridin-3-ylthiourea
CID 25045123
ethyl N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamate
CID 17147479
N-[4-[(4-pyridin-3-yloxyphenyl)sulfamoyl]phenyl]acetamide
CID 1332367
4-[(4-ethoxyphenyl)sulfonylamino]-N-pyridin-2-ylbenzenesulfonamide
CID 92674441
4-ethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 4202178

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-pyridin-3-ylthiourea?
The IUPAC name of 1-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-pyridin-3-ylthiourea (CID 25043088) is 1-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-pyridin-3-ylthiourea.
What is the SMILES notation for 1-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-pyridin-3-ylthiourea?
The canonical SMILES for 1-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-pyridin-3-ylthiourea is CCOc1ccc(NS(=O)(=O)c2ccc(NC(=S)Nc3cccnc3)cc2)cc1.
What is the InChIKey of 1-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-pyridin-3-ylthiourea?
The InChIKey is RCVRCUFYXPOCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S2/c1-2-27-18-9-5-16(6-10-18)24-29(25,26)19-11-7-15(8-12-19)22-20(28)23-17-4-3-13-21-14-17/h3-14,24H,2H2,1H3,(H2,22,23,28).
What are the key properties of 1-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-pyridin-3-ylthiourea?
1-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-pyridin-3-ylthiourea has a molecular weight of 428.54 g/mol, XLogP of 4.09, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-pyridin-3-ylthiourea is sourced from PubChem (CID 25043088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).