2-[4-[(2,6-dichlorophenyl)carbamoylamino]phenyl]-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]acetamide

C23H24Cl2N4O2S — CID 141016993

IUPAC2-[4-[(2,6-dichlorophenyl)carbamoylamino]phenyl]-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]acetamide
SMILESCC(C)CC(NC(=O)Cc1ccc(NC(=O)Nc2c(Cl)cccc2Cl)cc1)c1nccs1
InChIInChI=1S/C23H24Cl2N4O2S/c1-14(2)12-19(22-26-10-11-32-22)28-20(30)13-15-6-8-16(9-7-15)27-23(31)29-21-17(24)4-3-5-18(21)25/h3-11,14,19H,12-13H2,1-2H3,(H,28,30)(H2,27,29,31)
InChIKeyVPGVXAGQKAMFAT-UHFFFAOYSA-N
MW491.44 g/mol
LogP6.54
Rot. Bonds8

About 2-[4-[(2,6-dichlorophenyl)carbamoylamino]phenyl]-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]acetamide

2-[4-[(2,6-dichlorophenyl)carbamoylamino]phenyl]-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]acetamide (PubChem CID 141016993) has the molecular formula C23H24Cl2N4O2S and a molecular weight of 491.44 g/mol. Its IUPAC name is 2-[4-[(2,6-dichlorophenyl)carbamoylamino]phenyl]-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]acetamide.

Molecular Properties

Compound Name2-[4-[(2,6-dichlorophenyl)carbamoylamino]phenyl]-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]acetamide
PubChem CID141016993
Molecular FormulaC23H24Cl2N4O2S
Molecular Weight491.44 g/mol
Exact Mass490.10
IUPAC Name2-[4-[(2,6-dichlorophenyl)carbamoylamino]phenyl]-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]acetamide
SMILESCC(C)CC(NC(=O)Cc1ccc(NC(=O)Nc2c(Cl)cccc2Cl)cc1)c1nccs1
InChIInChI=1S/C23H24Cl2N4O2S/c1-14(2)12-19(22-26-10-11-32-22)28-20(30)13-15-6-8-16(9-7-15)27-23(31)29-21-17(24)4-3-5-18(21)25/h3-11,14,19H,12-13H2,1-2H3,(H,28,30)(H2,27,29,31)
InChIKeyVPGVXAGQKAMFAT-UHFFFAOYSA-N
XLogP6.54
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.44
LogP ≤ 56.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-sulfanylphenyl)-N-[1-(1,3-thiazol-2-yl)propyl]acetamide
CID 107030803
2-[4-(dimethylamino)phenyl]-N-[1-(1,3-thiazol-2-yl)propyl]acetamide
CID 91765781
3-(4-fluorophenyl)-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]butanamide
CID 110313528
4-(2-fluorophenyl)-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-4-oxobutanamide
CID 110628616
2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]acetamide
CID 110628550
2-(2,6-dichlorophenyl)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 8795621
2-[4-(1,3-thiazol-2-ylcarbamoylamino)phenyl]acetic acid
CID 61188411
1-benzyl-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-5-oxopyrrolidine-2-carboxamide
CID 110628575
ethyl 3-[3-[(1S)-1-[[2-[4-[(2-chlorophenyl)carbamoylamino]phenyl]acetyl]amino]-3-methylbutyl]-1,2-oxazol-5-yl]-3-oxopropanoate
CID 59879514
2-[4-[(5-phenyl-1,3-thiazol-2-yl)carbamoylamino]phenyl]-N-propan-2-ylacetamide
CID 48769108
2-(4-chlorophenyl)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 28567050
3-[4-[3-methyl-1-[[2-[4-(pyridin-2-ylcarbamoylamino)phenyl]acetyl]amino]butyl]-1,3-oxazol-2-yl]propanoic acid
CID 18313929

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,6-dichlorophenyl)carbamoylamino]phenyl]-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]acetamide?
The IUPAC name of 2-[4-[(2,6-dichlorophenyl)carbamoylamino]phenyl]-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]acetamide (CID 141016993) is 2-[4-[(2,6-dichlorophenyl)carbamoylamino]phenyl]-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]acetamide.
What is the SMILES notation for 2-[4-[(2,6-dichlorophenyl)carbamoylamino]phenyl]-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]acetamide?
The canonical SMILES for 2-[4-[(2,6-dichlorophenyl)carbamoylamino]phenyl]-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]acetamide is CC(C)CC(NC(=O)Cc1ccc(NC(=O)Nc2c(Cl)cccc2Cl)cc1)c1nccs1.
What is the InChIKey of 2-[4-[(2,6-dichlorophenyl)carbamoylamino]phenyl]-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]acetamide?
The InChIKey is VPGVXAGQKAMFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24Cl2N4O2S/c1-14(2)12-19(22-26-10-11-32-22)28-20(30)13-15-6-8-16(9-7-15)27-23(31)29-21-17(24)4-3-5-18(21)25/h3-11,14,19H,12-13H2,1-2H3,(H,28,30)(H2,27,29,31).
What are the key properties of 2-[4-[(2,6-dichlorophenyl)carbamoylamino]phenyl]-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]acetamide?
2-[4-[(2,6-dichlorophenyl)carbamoylamino]phenyl]-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]acetamide has a molecular weight of 491.44 g/mol, XLogP of 6.54, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,6-dichlorophenyl)carbamoylamino]phenyl]-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]acetamide is sourced from PubChem (CID 141016993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).