N-[5-(2,2-diphenylethylamino)-1,3,4-thiadiazol-2-yl]-2-ethoxynaphthalene-1-carboxamide

C29H26N4O2S — CID 509333

IUPACN-[5-(2,2-diphenylethylamino)-1,3,4-thiadiazol-2-yl]-2-ethoxynaphthalene-1-carboxamide
SMILESCCOc1ccc2ccccc2c1C(=O)Nc1nnc(NCC(c2ccccc2)c2ccccc2)s1
InChIInChI=1S/C29H26N4O2S/c1-2-35-25-18-17-22-15-9-10-16-23(22)26(25)27(34)31-29-33-32-28(36-29)30-19-24(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-18,24H,2,19H2,1H3,(H,30,32)(H,31,33,34)
InChIKeyIEAMFMMOUJEHLK-UHFFFAOYSA-N
MW494.62 g/mol
LogP6.59
Rot. Bonds9

About N-[5-(2,2-diphenylethylamino)-1,3,4-thiadiazol-2-yl]-2-ethoxynaphthalene-1-carboxamide

N-[5-(2,2-diphenylethylamino)-1,3,4-thiadiazol-2-yl]-2-ethoxynaphthalene-1-carboxamide (PubChem CID 509333) has the molecular formula C29H26N4O2S and a molecular weight of 494.62 g/mol. Its IUPAC name is N-[5-(2,2-diphenylethylamino)-1,3,4-thiadiazol-2-yl]-2-ethoxynaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[5-(2,2-diphenylethylamino)-1,3,4-thiadiazol-2-yl]-2-ethoxynaphthalene-1-carboxamide
PubChem CID509333
Molecular FormulaC29H26N4O2S
Molecular Weight494.62 g/mol
Exact Mass494.18
IUPAC NameN-[5-(2,2-diphenylethylamino)-1,3,4-thiadiazol-2-yl]-2-ethoxynaphthalene-1-carboxamide
SMILESCCOc1ccc2ccccc2c1C(=O)Nc1nnc(NCC(c2ccccc2)c2ccccc2)s1
InChIInChI=1S/C29H26N4O2S/c1-2-35-25-18-17-22-15-9-10-16-23(22)26(25)27(34)31-29-33-32-28(36-29)30-19-24(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-18,24H,2,19H2,1H3,(H,30,32)(H,31,33,34)
InChIKeyIEAMFMMOUJEHLK-UHFFFAOYSA-N
XLogP6.59
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.62
LogP ≤ 56.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(2-acetamidoethylamino)-1,3,4-thiadiazol-2-yl]-2-ethoxynaphthalene-1-carboxamide
CID 510291
2-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide
CID 43952122
2-ethoxy-N-(2-propan-2-ylphenyl)naphthalene-1-carboxamide
CID 9497351
2-ethoxy-N-(2-ethoxypyrimidin-5-yl)naphthalene-1-carboxamide
CID 122301952
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-ethoxynaphthalene-1-carboxamide
CID 43988802
2-ethoxy-N-(3-hydroxy-3-phenylpropyl)naphthalene-1-carboxamide
CID 90499582
2-ethoxy-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]naphthalene-1-carboxamide
CID 97414456
2-ethoxy-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]naphthalene-1-carboxamide
CID 90602796
N-[5-(2,2-diphenylethylamino)-1,3,4-thiadiazol-2-yl]-2,3-difluorobenzamide
CID 70108043
N-[(2S)-butan-2-yl]-2-ethoxynaphthalene-1-carboxamide
CID 9497386
methyl 4-(2-chlorophenyl)-2-[(2-ethoxynaphthalene-1-carbonyl)amino]thiophene-3-carboxylate
CID 3552609
3-(2-ethoxynaphthalen-1-yl)-3-oxopropanoic acid
CID 170886868

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,2-diphenylethylamino)-1,3,4-thiadiazol-2-yl]-2-ethoxynaphthalene-1-carboxamide?
The IUPAC name of N-[5-(2,2-diphenylethylamino)-1,3,4-thiadiazol-2-yl]-2-ethoxynaphthalene-1-carboxamide (CID 509333) is N-[5-(2,2-diphenylethylamino)-1,3,4-thiadiazol-2-yl]-2-ethoxynaphthalene-1-carboxamide.
What is the SMILES notation for N-[5-(2,2-diphenylethylamino)-1,3,4-thiadiazol-2-yl]-2-ethoxynaphthalene-1-carboxamide?
The canonical SMILES for N-[5-(2,2-diphenylethylamino)-1,3,4-thiadiazol-2-yl]-2-ethoxynaphthalene-1-carboxamide is CCOc1ccc2ccccc2c1C(=O)Nc1nnc(NCC(c2ccccc2)c2ccccc2)s1.
What is the InChIKey of N-[5-(2,2-diphenylethylamino)-1,3,4-thiadiazol-2-yl]-2-ethoxynaphthalene-1-carboxamide?
The InChIKey is IEAMFMMOUJEHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N4O2S/c1-2-35-25-18-17-22-15-9-10-16-23(22)26(25)27(34)31-29-33-32-28(36-29)30-19-24(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-18,24H,2,19H2,1H3,(H,30,32)(H,31,33,34).
What are the key properties of N-[5-(2,2-diphenylethylamino)-1,3,4-thiadiazol-2-yl]-2-ethoxynaphthalene-1-carboxamide?
N-[5-(2,2-diphenylethylamino)-1,3,4-thiadiazol-2-yl]-2-ethoxynaphthalene-1-carboxamide has a molecular weight of 494.62 g/mol, XLogP of 6.59, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,2-diphenylethylamino)-1,3,4-thiadiazol-2-yl]-2-ethoxynaphthalene-1-carboxamide is sourced from PubChem (CID 509333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).