4-amino-N-[4-[2-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]phenyl]thiophene-3-carboxamide

C25H28N2O3S — CID 20646936

IUPAC4-amino-N-[4-[2-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]phenyl]thiophene-3-carboxamide
SMILESCOc1cc2c(cc1OC)CC(CCc1ccc(NC(=O)c3cscc3N)cc1)CC2
InChIInChI=1S/C25H28N2O3S/c1-29-23-12-18-8-5-17(11-19(18)13-24(23)30-2)4-3-16-6-9-20(10-7-16)27-25(28)21-14-31-15-22(21)26/h6-7,9-10,12-15,17H,3-5,8,11,26H2,1-2H3,(H,27,28)
InChIKeyOOAQJPKGEFOLIN-UHFFFAOYSA-N
MW436.58 g/mol
LogP5.34
Rot. Bonds7

About 4-amino-N-[4-[2-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]phenyl]thiophene-3-carboxamide

4-amino-N-[4-[2-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]phenyl]thiophene-3-carboxamide (PubChem CID 20646936) has the molecular formula C25H28N2O3S and a molecular weight of 436.58 g/mol. Its IUPAC name is 4-amino-N-[4-[2-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[4-[2-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]phenyl]thiophene-3-carboxamide
PubChem CID20646936
Molecular FormulaC25H28N2O3S
Molecular Weight436.58 g/mol
Exact Mass436.18
IUPAC Name4-amino-N-[4-[2-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]phenyl]thiophene-3-carboxamide
SMILESCOc1cc2c(cc1OC)CC(CCc1ccc(NC(=O)c3cscc3N)cc1)CC2
InChIInChI=1S/C25H28N2O3S/c1-29-23-12-18-8-5-17(11-19(18)13-24(23)30-2)4-3-16-6-9-20(10-7-16)27-25(28)21-14-31-15-22(21)26/h6-7,9-10,12-15,17H,3-5,8,11,26H2,1-2H3,(H,27,28)
InChIKeyOOAQJPKGEFOLIN-UHFFFAOYSA-N
XLogP5.34
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.58
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanoate
CID 70363837
N-(4-butylphenyl)-2,4,5-trimethoxybenzamide
CID 9442098
9H-fluoren-9-ylmethyl N-[2-[[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]carbamoyl]phenyl]carbamate
CID 122188658
N-[4-[2-[3-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)propyl-methylamino]ethyl]phenyl]-N-methylsulfonylmethanesulfonamide;hydrochloride
CID 158498374
N-[2-[[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]carbamoyl]phenyl]-2-methylbenzamide
CID 22004551
methyl 4-[2-[4-[[2-amino-5-(cyclopropylmethoxy)benzoyl]amino]phenyl]ethyl]benzoate
CID 118863680
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-methylpropan-1-amine
CID 70363619
2-amino-N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-methoxyphenyl]benzamide
CID 70011881
1-(4-aminophenyl)-3-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]urea
CID 44565509
2-amino-N-[4-[1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]phenyl]benzamide
CID 20646909
2-[2-(4-ethylphenyl)ethyl]-6,7-difluoro-1,2,3,4-tetrahydronaphthalene
CID 139848750
methyl 4-[2-[4-[(2-amino-5-cyclohexylthiophene-3-carbonyl)amino]phenyl]ethyl]benzoate
CID 90377635

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-[2-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]phenyl]thiophene-3-carboxamide?
The IUPAC name of 4-amino-N-[4-[2-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]phenyl]thiophene-3-carboxamide (CID 20646936) is 4-amino-N-[4-[2-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]phenyl]thiophene-3-carboxamide.
What is the SMILES notation for 4-amino-N-[4-[2-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]phenyl]thiophene-3-carboxamide?
The canonical SMILES for 4-amino-N-[4-[2-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]phenyl]thiophene-3-carboxamide is COc1cc2c(cc1OC)CC(CCc1ccc(NC(=O)c3cscc3N)cc1)CC2.
What is the InChIKey of 4-amino-N-[4-[2-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]phenyl]thiophene-3-carboxamide?
The InChIKey is OOAQJPKGEFOLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3S/c1-29-23-12-18-8-5-17(11-19(18)13-24(23)30-2)4-3-16-6-9-20(10-7-16)27-25(28)21-14-31-15-22(21)26/h6-7,9-10,12-15,17H,3-5,8,11,26H2,1-2H3,(H,27,28).
What are the key properties of 4-amino-N-[4-[2-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]phenyl]thiophene-3-carboxamide?
4-amino-N-[4-[2-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]phenyl]thiophene-3-carboxamide has a molecular weight of 436.58 g/mol, XLogP of 5.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-[2-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 20646936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).