2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-(cyclopropylcarbamoylamino)phenyl]acetamide

C19H20BrN3O2S — CID 34206787

IUPAC2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-(cyclopropylcarbamoylamino)phenyl]acetamide
SMILESCc1cc(Br)ccc1SCC(=O)Nc1ccc(NC(=O)NC2CC2)cc1
InChIInChI=1S/C19H20BrN3O2S/c1-12-10-13(20)2-9-17(12)26-11-18(24)21-14-3-5-15(6-4-14)22-19(25)23-16-7-8-16/h2-6,9-10,16H,7-8,11H2,1H3,(H,21,24)(H2,22,23,25)
InChIKeyBBNAKLRKJUDRFU-UHFFFAOYSA-N
MW434.36 g/mol
LogP4.77
Rot. Bonds6

About 2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-(cyclopropylcarbamoylamino)phenyl]acetamide

2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-(cyclopropylcarbamoylamino)phenyl]acetamide (PubChem CID 34206787) has the molecular formula C19H20BrN3O2S and a molecular weight of 434.36 g/mol. Its IUPAC name is 2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-(cyclopropylcarbamoylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-(cyclopropylcarbamoylamino)phenyl]acetamide
PubChem CID34206787
Molecular FormulaC19H20BrN3O2S
Molecular Weight434.36 g/mol
Exact Mass433.05
IUPAC Name2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-(cyclopropylcarbamoylamino)phenyl]acetamide
SMILESCc1cc(Br)ccc1SCC(=O)Nc1ccc(NC(=O)NC2CC2)cc1
InChIInChI=1S/C19H20BrN3O2S/c1-12-10-13(20)2-9-17(12)26-11-18(24)21-14-3-5-15(6-4-14)22-19(25)23-16-7-8-16/h2-6,9-10,16H,7-8,11H2,1H3,(H,21,24)(H2,22,23,25)
InChIKeyBBNAKLRKJUDRFU-UHFFFAOYSA-N
XLogP4.77
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.36
LogP ≤ 54.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-(hydroxymethyl)phenyl]acetamide
CID 64793360
4-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]-N-methylbenzamide
CID 27872538
2-(4-bromo-2-methylphenyl)sulfanyl-N-(1-methylsulfonylpiperidin-4-yl)acetamide
CID 39999661
2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-(methylsulfamoyl)phenyl]acetamide
CID 24635386
2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]-3-chlorophenyl]acetamide
CID 4844789
methyl 2-[4-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]phenoxy]acetate
CID 55709184
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-bromo-2-methylphenyl)sulfanylacetamide;hydrochloride
CID 119456259
2-[4-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]piperidin-1-yl]-N-methylacetamide
CID 32522403
2-(4-bromo-2-methylphenyl)sulfanyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]acetamide
CID 56568902
2-(4-bromo-2-methylphenyl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide
CID 27873785
2-(4-bromo-2-methylphenyl)sulfanyl-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 7976217
2-(4-bromo-2-methylphenyl)sulfanyl-N-(2-methylphenyl)acetamide
CID 9342244

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-(cyclopropylcarbamoylamino)phenyl]acetamide?
The IUPAC name of 2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-(cyclopropylcarbamoylamino)phenyl]acetamide (CID 34206787) is 2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-(cyclopropylcarbamoylamino)phenyl]acetamide.
What is the SMILES notation for 2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-(cyclopropylcarbamoylamino)phenyl]acetamide?
The canonical SMILES for 2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-(cyclopropylcarbamoylamino)phenyl]acetamide is Cc1cc(Br)ccc1SCC(=O)Nc1ccc(NC(=O)NC2CC2)cc1.
What is the InChIKey of 2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-(cyclopropylcarbamoylamino)phenyl]acetamide?
The InChIKey is BBNAKLRKJUDRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN3O2S/c1-12-10-13(20)2-9-17(12)26-11-18(24)21-14-3-5-15(6-4-14)22-19(25)23-16-7-8-16/h2-6,9-10,16H,7-8,11H2,1H3,(H,21,24)(H2,22,23,25).
What are the key properties of 2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-(cyclopropylcarbamoylamino)phenyl]acetamide?
2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-(cyclopropylcarbamoylamino)phenyl]acetamide has a molecular weight of 434.36 g/mol, XLogP of 4.77, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-(cyclopropylcarbamoylamino)phenyl]acetamide is sourced from PubChem (CID 34206787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).