1-[(3-chloro-4-methylthiophene-2-carbonyl)amino]-3-(4-methylsulfanylphenyl)urea

C14H14ClN3O2S2 — CID 25226527

IUPAC1-[(3-chloro-4-methylthiophene-2-carbonyl)amino]-3-(4-methylsulfanylphenyl)urea
SMILESCSc1ccc(NC(=O)NNC(=O)c2scc(C)c2Cl)cc1
InChIInChI=1S/C14H14ClN3O2S2/c1-8-7-22-12(11(8)15)13(19)17-18-14(20)16-9-3-5-10(21-2)6-4-9/h3-7H,1-2H3,(H,17,19)(H2,16,18,20)
InChIKeyCUJVXELUCQCDCW-UHFFFAOYSA-N
MW355.87 g/mol
LogP3.90
Rot. Bonds3

About 1-[(3-chloro-4-methylthiophene-2-carbonyl)amino]-3-(4-methylsulfanylphenyl)urea

1-[(3-chloro-4-methylthiophene-2-carbonyl)amino]-3-(4-methylsulfanylphenyl)urea (PubChem CID 25226527) has the molecular formula C14H14ClN3O2S2 and a molecular weight of 355.87 g/mol. Its IUPAC name is 1-[(3-chloro-4-methylthiophene-2-carbonyl)amino]-3-(4-methylsulfanylphenyl)urea.

Molecular Properties

Compound Name1-[(3-chloro-4-methylthiophene-2-carbonyl)amino]-3-(4-methylsulfanylphenyl)urea
PubChem CID25226527
Molecular FormulaC14H14ClN3O2S2
Molecular Weight355.87 g/mol
Exact Mass355.02
IUPAC Name1-[(3-chloro-4-methylthiophene-2-carbonyl)amino]-3-(4-methylsulfanylphenyl)urea
SMILESCSc1ccc(NC(=O)NNC(=O)c2scc(C)c2Cl)cc1
InChIInChI=1S/C14H14ClN3O2S2/c1-8-7-22-12(11(8)15)13(19)17-18-14(20)16-9-3-5-10(21-2)6-4-9/h3-7H,1-2H3,(H,17,19)(H2,16,18,20)
InChIKeyCUJVXELUCQCDCW-UHFFFAOYSA-N
XLogP3.90
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-(4-iodophenyl)-4-methylthiophene-2-carboxamide
CID 103401913
1-[(2,4-dichlorobenzoyl)amino]-3-(4-methylsulfanylphenyl)urea
CID 134103806
5-[(3-chloro-4-methylthiophene-2-carbonyl)amino]-2-methylbenzoic acid
CID 103400124
N-(3-bromo-5-methylphenyl)-3-chloro-4-methylthiophene-2-carboxamide
CID 103526991
3-[(2-chloro-5-methylsulfanylbenzoyl)amino]-4-methylthiophene-2-carboxylic acid
CID 114914930
N-(2-bromo-5-iodophenyl)-3-chloro-4-methylthiophene-2-carboxamide
CID 114258897
3-chloro-N-[2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-4-methylthiophene-2-carboxamide
CID 103402001
3-chloro-N-(1,3-dibromo-2-methylpropan-2-yl)-4-methylthiophene-2-carboxamide
CID 103406130
3-chloro-N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-4-methylthiophene-2-carboxamide
CID 103404140
1-(4-methylphenyl)-3-[(4-methylphenyl)carbamoylamino]urea
CID 54178073
N-[3-(3-bromopropyl)phenyl]-3-chloro-4-methylthiophene-2-carboxamide
CID 103406160
N-[3-(3-aminoprop-1-ynyl)-5-methylphenyl]-3-chloro-4-methylthiophene-2-carboxamide
CID 107578779

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-4-methylthiophene-2-carbonyl)amino]-3-(4-methylsulfanylphenyl)urea?
The IUPAC name of 1-[(3-chloro-4-methylthiophene-2-carbonyl)amino]-3-(4-methylsulfanylphenyl)urea (CID 25226527) is 1-[(3-chloro-4-methylthiophene-2-carbonyl)amino]-3-(4-methylsulfanylphenyl)urea.
What is the SMILES notation for 1-[(3-chloro-4-methylthiophene-2-carbonyl)amino]-3-(4-methylsulfanylphenyl)urea?
The canonical SMILES for 1-[(3-chloro-4-methylthiophene-2-carbonyl)amino]-3-(4-methylsulfanylphenyl)urea is CSc1ccc(NC(=O)NNC(=O)c2scc(C)c2Cl)cc1.
What is the InChIKey of 1-[(3-chloro-4-methylthiophene-2-carbonyl)amino]-3-(4-methylsulfanylphenyl)urea?
The InChIKey is CUJVXELUCQCDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2S2/c1-8-7-22-12(11(8)15)13(19)17-18-14(20)16-9-3-5-10(21-2)6-4-9/h3-7H,1-2H3,(H,17,19)(H2,16,18,20).
What are the key properties of 1-[(3-chloro-4-methylthiophene-2-carbonyl)amino]-3-(4-methylsulfanylphenyl)urea?
1-[(3-chloro-4-methylthiophene-2-carbonyl)amino]-3-(4-methylsulfanylphenyl)urea has a molecular weight of 355.87 g/mol, XLogP of 3.90, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-4-methylthiophene-2-carbonyl)amino]-3-(4-methylsulfanylphenyl)urea is sourced from PubChem (CID 25226527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).