2-[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]-N-(propan-2-ylcarbamoyl)acetamide

C20H27N3O2S — CID 26651467

IUPAC2-[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]-N-(propan-2-ylcarbamoyl)acetamide
SMILESCc1ccc(CN(CCc2ccccc2)CC(=O)NC(=O)NC(C)C)s1
InChIInChI=1S/C20H27N3O2S/c1-15(2)21-20(25)22-19(24)14-23(13-18-10-9-16(3)26-18)12-11-17-7-5-4-6-8-17/h4-10,15H,11-14H2,1-3H3,(H2,21,22,24,25)
InChIKeyGDBFFGWZIOIOIA-UHFFFAOYSA-N
MW373.52 g/mol
LogP3.34
Rot. Bonds8

About 2-[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]-N-(propan-2-ylcarbamoyl)acetamide

2-[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]-N-(propan-2-ylcarbamoyl)acetamide (PubChem CID 26651467) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is 2-[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]-N-(propan-2-ylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]-N-(propan-2-ylcarbamoyl)acetamide
PubChem CID26651467
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC Name2-[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]-N-(propan-2-ylcarbamoyl)acetamide
SMILESCc1ccc(CN(CCc2ccccc2)CC(=O)NC(=O)NC(C)C)s1
InChIInChI=1S/C20H27N3O2S/c1-15(2)21-20(25)22-19(24)14-23(13-18-10-9-16(3)26-18)12-11-17-7-5-4-6-8-17/h4-10,15H,11-14H2,1-3H3,(H2,21,22,24,25)
InChIKeyGDBFFGWZIOIOIA-UHFFFAOYSA-N
XLogP3.34
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyano-3-methylbutan-2-yl)-2-[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]acetamide
CID 55412851
(2R)-2-(carbamoylamino)-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)propanamide
CID 94797374
4-amino-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)pentanamide;hydrochloride
CID 120559324
ethyl 2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]acetate
CID 3821334
2-[(5-methylthiophen-2-yl)methyl-propylamino]acetic acid
CID 65064587
4-[2-[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]ethoxy]benzenesulfonamide
CID 34716492
2-[2-aminoethyl(2-phenylethyl)amino]-N-(2-methylpropylcarbamoyl)acetamide;hydrochloride
CID 120872551
ethyl 4-[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)sulfamoyl]piperazine-1-carboxylate
CID 55861816
2-[2-methylpropyl-[(5-methylthiophen-2-yl)methyl]amino]acetic acid
CID 65063855
2-(N-ethyl-2-methylanilino)-N-(propan-2-ylcarbamoyl)acetamide
CID 47121669
1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]ethanone
CID 24568161
2-[benzyl(2-hydroxyethyl)amino]-N-(methylcarbamoyl)acetamide
CID 60685209

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]-N-(propan-2-ylcarbamoyl)acetamide?
The IUPAC name of 2-[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]-N-(propan-2-ylcarbamoyl)acetamide (CID 26651467) is 2-[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]-N-(propan-2-ylcarbamoyl)acetamide.
What is the SMILES notation for 2-[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]-N-(propan-2-ylcarbamoyl)acetamide?
The canonical SMILES for 2-[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]-N-(propan-2-ylcarbamoyl)acetamide is Cc1ccc(CN(CCc2ccccc2)CC(=O)NC(=O)NC(C)C)s1.
What is the InChIKey of 2-[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]-N-(propan-2-ylcarbamoyl)acetamide?
The InChIKey is GDBFFGWZIOIOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-15(2)21-20(25)22-19(24)14-23(13-18-10-9-16(3)26-18)12-11-17-7-5-4-6-8-17/h4-10,15H,11-14H2,1-3H3,(H2,21,22,24,25).
What are the key properties of 2-[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]-N-(propan-2-ylcarbamoyl)acetamide?
2-[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]-N-(propan-2-ylcarbamoyl)acetamide has a molecular weight of 373.52 g/mol, XLogP of 3.34, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]-N-(propan-2-ylcarbamoyl)acetamide is sourced from PubChem (CID 26651467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).