1-[(2E,4E)-5-tert-butylsulfinamoylhexa-2,4-dien-3-yl]-3-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]urea

C19H31N3O2S — CID 167083678

IUPAC1-[(2E,4E)-5-tert-butylsulfinamoylhexa-2,4-dien-3-yl]-3-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]urea
SMILESC=C/C(=C\C=C/C)CNC(=O)NC(=C/C)/C=C(\C)S(=O)NC(C)(C)C
InChIInChI=1S/C19H31N3O2S/c1-8-11-12-16(9-2)14-20-18(23)21-17(10-3)13-15(4)25(24)22-19(5,6)7/h8-13,22H,2,14H2,1,3-7H3,(H2,20,21,23)/b11-8-,15-13+,16-12+,17-10+
InChIKeyCWRAJNIEAFSFFM-DDGCSECTSA-N
MW365.54 g/mol
LogP3.83
Rot. Bonds8

About 1-[(2E,4E)-5-tert-butylsulfinamoylhexa-2,4-dien-3-yl]-3-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]urea

1-[(2E,4E)-5-tert-butylsulfinamoylhexa-2,4-dien-3-yl]-3-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]urea (PubChem CID 167083678) has the molecular formula C19H31N3O2S and a molecular weight of 365.54 g/mol. Its IUPAC name is 1-[(2E,4E)-5-tert-butylsulfinamoylhexa-2,4-dien-3-yl]-3-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]urea.

Molecular Properties

Compound Name1-[(2E,4E)-5-tert-butylsulfinamoylhexa-2,4-dien-3-yl]-3-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]urea
PubChem CID167083678
Molecular FormulaC19H31N3O2S
Molecular Weight365.54 g/mol
Exact Mass365.21
IUPAC Name1-[(2E,4E)-5-tert-butylsulfinamoylhexa-2,4-dien-3-yl]-3-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]urea
SMILESC=C/C(=C\C=C/C)CNC(=O)NC(=C/C)/C=C(\C)S(=O)NC(C)(C)C
InChIInChI=1S/C19H31N3O2S/c1-8-11-12-16(9-2)14-20-18(23)21-17(10-3)13-15(4)25(24)22-19(5,6)7/h8-13,22H,2,14H2,1,3-7H3,(H2,20,21,23)/b11-8-,15-13+,16-12+,17-10+
InChIKeyCWRAJNIEAFSFFM-DDGCSECTSA-N
XLogP3.83
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.54
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(2E,4E)-5-tert-butylsulfinamoylhexa-2,4-dien-3-yl]-3-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2E,4E)-5-tert-butylsulfinamoylhexa-2,4-dien-3-yl]-3-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]urea?
The IUPAC name of 1-[(2E,4E)-5-tert-butylsulfinamoylhexa-2,4-dien-3-yl]-3-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]urea (CID 167083678) is 1-[(2E,4E)-5-tert-butylsulfinamoylhexa-2,4-dien-3-yl]-3-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]urea.
What is the SMILES notation for 1-[(2E,4E)-5-tert-butylsulfinamoylhexa-2,4-dien-3-yl]-3-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]urea?
The canonical SMILES for 1-[(2E,4E)-5-tert-butylsulfinamoylhexa-2,4-dien-3-yl]-3-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]urea is C=C/C(=C\C=C/C)CNC(=O)NC(=C/C)/C=C(\C)S(=O)NC(C)(C)C.
What is the InChIKey of 1-[(2E,4E)-5-tert-butylsulfinamoylhexa-2,4-dien-3-yl]-3-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]urea?
The InChIKey is CWRAJNIEAFSFFM-DDGCSECTSA-N. The full InChI is InChI=1S/C19H31N3O2S/c1-8-11-12-16(9-2)14-20-18(23)21-17(10-3)13-15(4)25(24)22-19(5,6)7/h8-13,22H,2,14H2,1,3-7H3,(H2,20,21,23)/b11-8-,15-13+,16-12+,17-10+.
What are the key properties of 1-[(2E,4E)-5-tert-butylsulfinamoylhexa-2,4-dien-3-yl]-3-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]urea?
1-[(2E,4E)-5-tert-butylsulfinamoylhexa-2,4-dien-3-yl]-3-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]urea has a molecular weight of 365.54 g/mol, XLogP of 3.83, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E,4E)-5-tert-butylsulfinamoylhexa-2,4-dien-3-yl]-3-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]urea is sourced from PubChem (CID 167083678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).