N-[2-[methyl-[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide

C24H29N3O2S — CID 71909366

IUPACN-[2-[methyl-[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
SMILESCc1nc(C(C)C)sc1C(C)N(C)C(=O)CNC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C24H29N3O2S/c1-15(2)24-26-16(3)23(30-24)17(4)27(5)22(29)14-25-21(28)13-19-11-8-10-18-9-6-7-12-20(18)19/h6-12,15,17H,13-14H2,1-5H3,(H,25,28)
InChIKeyUWZMZQIPONNZOZ-UHFFFAOYSA-N
MW423.58 g/mol
LogP4.61
Rot. Bonds7

About N-[2-[methyl-[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide

N-[2-[methyl-[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide (PubChem CID 71909366) has the molecular formula C24H29N3O2S and a molecular weight of 423.58 g/mol. Its IUPAC name is N-[2-[methyl-[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[2-[methyl-[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
PubChem CID71909366
Molecular FormulaC24H29N3O2S
Molecular Weight423.58 g/mol
Exact Mass423.20
IUPAC NameN-[2-[methyl-[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
SMILESCc1nc(C(C)C)sc1C(C)N(C)C(=O)CNC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C24H29N3O2S/c1-15(2)24-26-16(3)23(30-24)17(4)27(5)22(29)14-25-21(28)13-19-11-8-10-18-9-6-7-12-20(18)19/h6-12,15,17H,13-14H2,1-5H3,(H,25,28)
InChIKeyUWZMZQIPONNZOZ-UHFFFAOYSA-N
XLogP4.61
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.58
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[1-(4-chlorophenyl)ethyl-methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 46580634
2-[butan-2-yl-[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetic acid
CID 119955196
N-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 9020477
N-methyl-N-[(1S)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-2H-chromene-3-carboxamide
CID 97327486
N-[2-(3-aminobutylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide;hydrochloride
CID 119497414
4-[methyl-[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]butanoic acid
CID 119172823
N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-naphthalen-1-ylacetamide
CID 9262345
1-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(1R)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]urea
CID 97066952
N-[2-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 47076938
N-[2-[2-(3-methylbutanoyl)hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 46423856
N-[2-(ethylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 18145666
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(2-methoxyphenyl)-N-methylacetamide
CID 56782372

Frequently Asked Questions

What is the IUPAC name of N-[2-[methyl-[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[2-[methyl-[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide (CID 71909366) is N-[2-[methyl-[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[2-[methyl-[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[2-[methyl-[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide is Cc1nc(C(C)C)sc1C(C)N(C)C(=O)CNC(=O)Cc1cccc2ccccc12.
What is the InChIKey of N-[2-[methyl-[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
The InChIKey is UWZMZQIPONNZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2S/c1-15(2)24-26-16(3)23(30-24)17(4)27(5)22(29)14-25-21(28)13-19-11-8-10-18-9-6-7-12-20(18)19/h6-12,15,17H,13-14H2,1-5H3,(H,25,28).
What are the key properties of N-[2-[methyl-[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
N-[2-[methyl-[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide has a molecular weight of 423.58 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[methyl-[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 71909366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).