N-(5-chloro-2-methoxyphenyl)-2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide

C16H15ClN4O2S — CID 2498077

IUPACN-(5-chloro-2-methoxyphenyl)-2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C)c1ncnc2sccc12
InChIInChI=1S/C16H15ClN4O2S/c1-21(15-11-5-6-24-16(11)19-9-18-15)8-14(22)20-12-7-10(17)3-4-13(12)23-2/h3-7,9H,8H2,1-2H3,(H,20,22)
InChIKeyATOZGYMRWQEANG-UHFFFAOYSA-N
MW362.84 g/mol
LogP3.43
Rot. Bonds5

About N-(5-chloro-2-methoxyphenyl)-2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide

N-(5-chloro-2-methoxyphenyl)-2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide (PubChem CID 2498077) has the molecular formula C16H15ClN4O2S and a molecular weight of 362.84 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide
PubChem CID2498077
Molecular FormulaC16H15ClN4O2S
Molecular Weight362.84 g/mol
Exact Mass362.06
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C)c1ncnc2sccc12
InChIInChI=1S/C16H15ClN4O2S/c1-21(15-11-5-6-24-16(11)19-9-18-15)8-14(22)20-12-7-10(17)3-4-13(12)23-2/h3-7,9H,8H2,1-2H3,(H,20,22)
InChIKeyATOZGYMRWQEANG-UHFFFAOYSA-N
XLogP3.43
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.84
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-[(7-chloroquinazolin-4-yl)-methylamino]acetamide
CID 24507939
N-(5-chloro-2-methylphenyl)-2-[ethyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 9112887
N-(5-chloro-2-methoxyphenyl)-2-[methyl-(5-methylquinazolin-4-yl)amino]acetamide
CID 133345243
N-tert-butyl-2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 8566631
methyl 3-[[2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]thiophene-2-carboxylate
CID 24566418
2-[acetyl(propan-2-yl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 113158224
N-(5-chloro-2-methoxyphenyl)-2-(3,4-difluoro-N-methylanilino)acetamide
CID 60573040
N-(5-chloro-2-methoxyphenyl)-2-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]acetamide
CID 31779237
2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 9222334
2-[2-aminoethyl(methyl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 62686650
5,6-dichloro-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylpyridine-3-carboxamide
CID 55329725
N-(5-chloro-2-methoxyphenyl)-2-[methyl-[5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]acetamide
CID 7873296

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide (CID 2498077) is N-(5-chloro-2-methoxyphenyl)-2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide is COc1ccc(Cl)cc1NC(=O)CN(C)c1ncnc2sccc12.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide?
The InChIKey is ATOZGYMRWQEANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O2S/c1-21(15-11-5-6-24-16(11)19-9-18-15)8-14(22)20-12-7-10(17)3-4-13(12)23-2/h3-7,9H,8H2,1-2H3,(H,20,22).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide?
N-(5-chloro-2-methoxyphenyl)-2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide has a molecular weight of 362.84 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide is sourced from PubChem (CID 2498077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).