2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide

C19H26N4OS — CID 46532633

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide
SMILESCCN(CCNC(=O)CSc1nc(C)cc(C)n1)c1cccc(C)c1
InChIInChI=1S/C19H26N4OS/c1-5-23(17-8-6-7-14(2)11-17)10-9-20-18(24)13-25-19-21-15(3)12-16(4)22-19/h6-8,11-12H,5,9-10,13H2,1-4H3,(H,20,24)
InChIKeyBBTDEHAJJOZWKA-UHFFFAOYSA-N
MW358.51 g/mol
LogP3.14
Rot. Bonds8

About 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide (PubChem CID 46532633) has the molecular formula C19H26N4OS and a molecular weight of 358.51 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide
PubChem CID46532633
Molecular FormulaC19H26N4OS
Molecular Weight358.51 g/mol
Exact Mass358.18
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide
SMILESCCN(CCNC(=O)CSc1nc(C)cc(C)n1)c1cccc(C)c1
InChIInChI=1S/C19H26N4OS/c1-5-23(17-8-6-7-14(2)11-17)10-9-20-18(24)13-25-19-21-15(3)12-16(4)22-19/h6-8,11-12H,5,9-10,13H2,1-4H3,(H,20,24)
InChIKeyBBTDEHAJJOZWKA-UHFFFAOYSA-N
XLogP3.14
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(dimethylamino)ethyl]-3-(N-ethyl-3-methylanilino)propanamide
CID 109016337
2-(4-aminophenyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide
CID 119831753
4-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]pentanamide
CID 120564241
2-(3,5-dimethylpyrazolidin-4-yl)-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide
CID 133108304
N-[2-(N-ethyl-3-methylanilino)ethyl]-2-(4-methylphenoxy)acetamide
CID 46684568
1-[2-(N-ethyl-3-methylanilino)ethyl]-3-(3-hydroxypropyl)urea
CID 110892216
N-[4-(diethylamino)phenyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 40604446
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide
CID 701583
2-[cyclopropyl(ethyl)amino]-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide
CID 112826130
N-[3-[2-(N-ethyl-3-methylanilino)ethylamino]-3-oxopropyl]benzamide
CID 51151803
N-[2-(N-ethyl-3-methylanilino)ethyl]-3-(4-methoxyphenyl)propanamide
CID 46654393
2-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide
CID 55338497

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide (CID 46532633) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide is CCN(CCNC(=O)CSc1nc(C)cc(C)n1)c1cccc(C)c1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide?
The InChIKey is BBTDEHAJJOZWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4OS/c1-5-23(17-8-6-7-14(2)11-17)10-9-20-18(24)13-25-19-21-15(3)12-16(4)22-19/h6-8,11-12H,5,9-10,13H2,1-4H3,(H,20,24).
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide?
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide has a molecular weight of 358.51 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide is sourced from PubChem (CID 46532633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).