ethyl 2-[[5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)thiophene-2-carbonyl]-(pyridin-2-ylmethyl)amino]acetate

C30H36N2O4S — CID 21046524

IUPACethyl 2-[[5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)thiophene-2-carbonyl]-(pyridin-2-ylmethyl)amino]acetate
SMILESCCOC(=O)CN(Cc1ccccn1)C(=O)c1ccc(-c2cc3c(cc2OC)C(C)(C)CCC3(C)C)s1
InChIInChI=1S/C30H36N2O4S/c1-7-36-27(33)19-32(18-20-10-8-9-15-31-20)28(34)26-12-11-25(37-26)21-16-22-23(17-24(21)35-6)30(4,5)14-13-29(22,2)3/h8-12,15-17H,7,13-14,18-19H2,1-6H3
InChIKeyIBBNYMWGPVGRMQ-UHFFFAOYSA-N
MW520.70 g/mol
LogP6.37
Rot. Bonds8

About ethyl 2-[[5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)thiophene-2-carbonyl]-(pyridin-2-ylmethyl)amino]acetate

ethyl 2-[[5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)thiophene-2-carbonyl]-(pyridin-2-ylmethyl)amino]acetate (PubChem CID 21046524) has the molecular formula C30H36N2O4S and a molecular weight of 520.70 g/mol. Its IUPAC name is ethyl 2-[[5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)thiophene-2-carbonyl]-(pyridin-2-ylmethyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)thiophene-2-carbonyl]-(pyridin-2-ylmethyl)amino]acetate
PubChem CID21046524
Molecular FormulaC30H36N2O4S
Molecular Weight520.70 g/mol
Exact Mass520.24
IUPAC Nameethyl 2-[[5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)thiophene-2-carbonyl]-(pyridin-2-ylmethyl)amino]acetate
SMILESCCOC(=O)CN(Cc1ccccn1)C(=O)c1ccc(-c2cc3c(cc2OC)C(C)(C)CCC3(C)C)s1
InChIInChI=1S/C30H36N2O4S/c1-7-36-27(33)19-32(18-20-10-8-9-15-31-20)28(34)26-12-11-25(37-26)21-16-22-23(17-24(21)35-6)30(4,5)14-13-29(22,2)3/h8-12,15-17H,7,13-14,18-19H2,1-6H3
InChIKeyIBBNYMWGPVGRMQ-UHFFFAOYSA-N
XLogP6.37
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.70
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[[5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)thiophene-2-carbonyl]-(pyridin-2-ylmethyl)amino]acetate 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

(2R,4R)-3-[4-(2-methoxyphenyl)benzoyl]-2-pyridin-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 145954653
7-(5-Cyclopropylthiophen-2-yl)-4-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzoxazepin-5-one
CID 71183221
2-ethoxy-N-(pyridin-2-ylmethyl)-N-(thiophen-3-ylmethyl)-1-naphthamide
CID 49715544
6-[(3-Methoxyphenyl)methoxy]-4-(5-methylthiophene-2-carbonyl)-1-(pyridin-2-ylmethyl)-1,4-diazepan-2-one
CID 45159359
2-[[7-(4-Tert-butylphenoxy)-1-(cyclopentylmethyl)isoquinoline-3-carbonyl]-[(5-methylthiophen-2-yl)methyl]amino]acetic acid
CID 11956276
Methyl 2-[(5-bromothiophen-2-yl)methyl-[7-(4-tert-butylphenoxy)-1-(cyclopentylmethyl)isoquinoline-3-carbonyl]amino]acetate
CID 11956277
(2S)-2-[[7-(4-tert-butylphenoxy)isoquinoline-3-carbonyl]amino]-3-(5-propan-2-ylthiophen-2-yl)propanoic acid
CID 18457628
5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-N-(1-pyridin-4-ylbut-3-enyl)thiophene-2-carboxamide
CID 21046278
5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-N-[(1-methylpyrrol-2-yl)methyl]-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
CID 21046279
5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide
CID 21046288
5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-N-[(5-methylpyrazin-2-yl)methyl]thiophene-2-carboxamide
CID 21046290
5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
CID 21046292

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)thiophene-2-carbonyl]-(pyridin-2-ylmethyl)amino]acetate?
The IUPAC name of ethyl 2-[[5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)thiophene-2-carbonyl]-(pyridin-2-ylmethyl)amino]acetate (CID 21046524) is ethyl 2-[[5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)thiophene-2-carbonyl]-(pyridin-2-ylmethyl)amino]acetate.
What is the SMILES notation for ethyl 2-[[5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)thiophene-2-carbonyl]-(pyridin-2-ylmethyl)amino]acetate?
The canonical SMILES for ethyl 2-[[5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)thiophene-2-carbonyl]-(pyridin-2-ylmethyl)amino]acetate is CCOC(=O)CN(Cc1ccccn1)C(=O)c1ccc(-c2cc3c(cc2OC)C(C)(C)CCC3(C)C)s1.
What is the InChIKey of ethyl 2-[[5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)thiophene-2-carbonyl]-(pyridin-2-ylmethyl)amino]acetate?
The InChIKey is IBBNYMWGPVGRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N2O4S/c1-7-36-27(33)19-32(18-20-10-8-9-15-31-20)28(34)26-12-11-25(37-26)21-16-22-23(17-24(21)35-6)30(4,5)14-13-29(22,2)3/h8-12,15-17H,7,13-14,18-19H2,1-6H3.
What are the key properties of ethyl 2-[[5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)thiophene-2-carbonyl]-(pyridin-2-ylmethyl)amino]acetate?
ethyl 2-[[5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)thiophene-2-carbonyl]-(pyridin-2-ylmethyl)amino]acetate has a molecular weight of 520.70 g/mol, XLogP of 6.37, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[5-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)thiophene-2-carbonyl]-(pyridin-2-ylmethyl)amino]acetate is sourced from PubChem (CID 21046524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).