N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-phenylmethoxy-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide

C32H34N2O2S — CID 67183274

IUPACN-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-phenylmethoxy-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCc1nc(CN(C(=O)C2CCCc3c(OCc4ccccc4)cccc32)c2ccc(C(C)C)cc2)cs1
InChIInChI=1S/C32H34N2O2S/c1-22(2)25-15-17-27(18-16-25)34(19-26-21-37-23(3)33-26)32(35)30-13-7-12-29-28(30)11-8-14-31(29)36-20-24-9-5-4-6-10-24/h4-6,8-11,14-18,21-22,30H,7,12-13,19-20H2,1-3H3
InChIKeyWBJHWHSYBKTFFU-UHFFFAOYSA-N
MW510.70 g/mol
LogP7.81
Rot. Bonds8

About N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-phenylmethoxy-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide

N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-phenylmethoxy-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 67183274) has the molecular formula C32H34N2O2S and a molecular weight of 510.70 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-phenylmethoxy-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-phenylmethoxy-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID67183274
Molecular FormulaC32H34N2O2S
Molecular Weight510.70 g/mol
Exact Mass510.23
IUPAC NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-phenylmethoxy-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCc1nc(CN(C(=O)C2CCCc3c(OCc4ccccc4)cccc32)c2ccc(C(C)C)cc2)cs1
InChIInChI=1S/C32H34N2O2S/c1-22(2)25-15-17-27(18-16-25)34(19-26-21-37-23(3)33-26)32(35)30-13-7-12-29-28(30)11-8-14-31(29)36-20-24-9-5-4-6-10-24/h4-6,8-11,14-18,21-22,30H,7,12-13,19-20H2,1-3H3
InChIKeyWBJHWHSYBKTFFU-UHFFFAOYSA-N
XLogP7.81
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.70
LogP ≤ 57.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(N-(5-phenylmethoxy-1,2,3,4-tetrahydronaphthalene-1-carbonyl)-4-propan-2-ylanilino)methyl]benzoic acid
CID 59597335
N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]methyl]-5-phenylmethoxy-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 67183631
N-[[1-[(6-methoxy-2-pyridinyl)methyl]pyrazol-4-yl]methyl]-5-phenylmethoxy-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 59597223
N-[[1-[(3-methyl-2-pyridinyl)methyl]pyrazol-4-yl]methyl]-5-phenylmethoxy-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 59191190
5-phenylmethoxy-N-[[1-[(5-phenylmethoxy-2-pyridinyl)methyl]pyrazol-4-yl]methyl]-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 59597215
5-hydroxy-N-[(4-hydroxyphenyl)methyl]-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 59597244
N-[[1-[(2,6-dimethoxy-3-pyridinyl)methyl]pyrazol-4-yl]methyl]-5-phenylmethoxy-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 59597363
N-[(4-phenylmethoxycyclohexa-1,5-dien-1-yl)methyl]-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 142124436
5-phenylmethoxy-N-[[1-[2-(propanethioylamino)prop-2-enyl]pyrazol-4-yl]methyl]-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 142124428
N-[(4-chlorophenyl)methyl]-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 10136763
N-[[4-(dimethylamino)phenyl]methyl]-5-hydroxy-N-[4-(1-hydroxyethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 142124453
N-methyl-5-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65456122

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-phenylmethoxy-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-phenylmethoxy-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 67183274) is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-phenylmethoxy-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-phenylmethoxy-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-phenylmethoxy-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide is Cc1nc(CN(C(=O)C2CCCc3c(OCc4ccccc4)cccc32)c2ccc(C(C)C)cc2)cs1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-phenylmethoxy-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is WBJHWHSYBKTFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N2O2S/c1-22(2)25-15-17-27(18-16-25)34(19-26-21-37-23(3)33-26)32(35)30-13-7-12-29-28(30)11-8-14-31(29)36-20-24-9-5-4-6-10-24/h4-6,8-11,14-18,21-22,30H,7,12-13,19-20H2,1-3H3.
What are the key properties of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-phenylmethoxy-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-phenylmethoxy-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 510.70 g/mol, XLogP of 7.81, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-phenylmethoxy-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 67183274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).