2-chloro-N,N-dimethyl-5-[[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetyl]amino]benzamide

C21H20ClN3O2S — CID 55674815

IUPAC2-chloro-N,N-dimethyl-5-[[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetyl]amino]benzamide
SMILESCc1nc(-c2ccc(CC(=O)Nc3ccc(Cl)c(C(=O)N(C)C)c3)cc2)cs1
InChIInChI=1S/C21H20ClN3O2S/c1-13-23-19(12-28-13)15-6-4-14(5-7-15)10-20(26)24-16-8-9-18(22)17(11-16)21(27)25(2)3/h4-9,11-12H,10H2,1-3H3,(H,24,26)
InChIKeyOUWVRTFWIWWIHT-UHFFFAOYSA-N
MW413.93 g/mol
LogP4.65
Rot. Bonds5

About 2-chloro-N,N-dimethyl-5-[[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetyl]amino]benzamide

2-chloro-N,N-dimethyl-5-[[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetyl]amino]benzamide (PubChem CID 55674815) has the molecular formula C21H20ClN3O2S and a molecular weight of 413.93 g/mol. Its IUPAC name is 2-chloro-N,N-dimethyl-5-[[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetyl]amino]benzamide.

Molecular Properties

Compound Name2-chloro-N,N-dimethyl-5-[[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetyl]amino]benzamide
PubChem CID55674815
Molecular FormulaC21H20ClN3O2S
Molecular Weight413.93 g/mol
Exact Mass413.10
IUPAC Name2-chloro-N,N-dimethyl-5-[[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetyl]amino]benzamide
SMILESCc1nc(-c2ccc(CC(=O)Nc3ccc(Cl)c(C(=O)N(C)C)c3)cc2)cs1
InChIInChI=1S/C21H20ClN3O2S/c1-13-23-19(12-28-13)15-6-4-14(5-7-15)10-20(26)24-16-8-9-18(22)17(11-16)21(27)25(2)3/h4-9,11-12H,10H2,1-3H3,(H,24,26)
InChIKeyOUWVRTFWIWWIHT-UHFFFAOYSA-N
XLogP4.65
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.93
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetyl]amino]phenyl]acetamide
CID 31862065
2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-[4-(prop-2-enylcarbamoylamino)phenyl]acetamide
CID 46545817
2-chloro-N,N-dimethyl-5-[[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]amino]benzamide
CID 60547951
2-chloro-5-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-N,N-dimethylbenzamide
CID 55674540
2-(3-fluorophenyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 8534010
2-(2,5-dichlorophenoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 108751372
2-(4-methoxyphenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 852161
2-chloro-N,N-dimethyl-5-[[2-(methylamino)acetyl]amino]benzamide;hydrochloride
CID 119718973
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 47025716
2-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 51239098
3-bromo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 108727345
N-(3,5-dimethylphenyl)-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 100597321

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-dimethyl-5-[[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetyl]amino]benzamide?
The IUPAC name of 2-chloro-N,N-dimethyl-5-[[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetyl]amino]benzamide (CID 55674815) is 2-chloro-N,N-dimethyl-5-[[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetyl]amino]benzamide.
What is the SMILES notation for 2-chloro-N,N-dimethyl-5-[[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetyl]amino]benzamide?
The canonical SMILES for 2-chloro-N,N-dimethyl-5-[[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetyl]amino]benzamide is Cc1nc(-c2ccc(CC(=O)Nc3ccc(Cl)c(C(=O)N(C)C)c3)cc2)cs1.
What is the InChIKey of 2-chloro-N,N-dimethyl-5-[[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetyl]amino]benzamide?
The InChIKey is OUWVRTFWIWWIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O2S/c1-13-23-19(12-28-13)15-6-4-14(5-7-15)10-20(26)24-16-8-9-18(22)17(11-16)21(27)25(2)3/h4-9,11-12H,10H2,1-3H3,(H,24,26).
What are the key properties of 2-chloro-N,N-dimethyl-5-[[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetyl]amino]benzamide?
2-chloro-N,N-dimethyl-5-[[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetyl]amino]benzamide has a molecular weight of 413.93 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-dimethyl-5-[[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetyl]amino]benzamide is sourced from PubChem (CID 55674815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).