N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-phenylthiadiazole-5-carboxamide

C23H25N3O3S — CID 45376806

IUPACN-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-phenylthiadiazole-5-carboxamide
SMILESCOc1ccc(CCN(CC2CC2)C(=O)c2snnc2-c2ccccc2)cc1OC
InChIInChI=1S/C23H25N3O3S/c1-28-19-11-10-16(14-20(19)29-2)12-13-26(15-17-8-9-17)23(27)22-21(24-25-30-22)18-6-4-3-5-7-18/h3-7,10-11,14,17H,8-9,12-13,15H2,1-2H3
InChIKeyIHUISYOJUQKXNC-UHFFFAOYSA-N
MW423.54 g/mol
LogP4.32
Rot. Bonds9

About N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-phenylthiadiazole-5-carboxamide

N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-phenylthiadiazole-5-carboxamide (PubChem CID 45376806) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-phenylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-phenylthiadiazole-5-carboxamide
PubChem CID45376806
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC NameN-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-phenylthiadiazole-5-carboxamide
SMILESCOc1ccc(CCN(CC2CC2)C(=O)c2snnc2-c2ccccc2)cc1OC
InChIInChI=1S/C23H25N3O3S/c1-28-19-11-10-16(14-20(19)29-2)12-13-26(15-17-8-9-17)23(27)22-21(24-25-30-22)18-6-4-3-5-7-18/h3-7,10-11,14,17H,8-9,12-13,15H2,1-2H3
InChIKeyIHUISYOJUQKXNC-UHFFFAOYSA-N
XLogP4.32
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methylphenyl)pyridine-4-carboxamide
CID 45376808
3-bromo-N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-4-carboxamide
CID 67393914
N-(cyclopropylmethyl)-5-(3,4-dimethylphenyl)-N-[2-(4-methoxy-3-methylphenyl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 67394715
N-(cyclopropylmethyl)-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-2-fluorobenzamide
CID 5039167
N-(cyclopropylmethyl)-3-(3,4-dimethoxyphenyl)-N-ethyl-1-phenylpyrazole-4-carboxamide
CID 86939949
N-[2-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]ethyl]cyclobutanecarboxamide
CID 113056225
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-phenylthiadiazol-5-yl)methanone
CID 51048790
2-[cyclopropylmethyl(ethylcarbamoyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 3398328
2-(3,4-dimethoxyphenyl)ethyl-(3-hydroxypropyl)carbamic acid
CID 69147976
4-(4-methoxyphenyl)-N-methyl-N-phenylthiadiazole-5-carboxamide
CID 100775104
N-[3-(3,4-dimethoxyphenyl)propyl]-N-(trimethylsilylmethyl)benzamide
CID 10620133
2-[benzylcarbamoyl(cyclopropyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(thiophen-2-ylmethyl)acetamide
CID 3583526

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-phenylthiadiazole-5-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-phenylthiadiazole-5-carboxamide (CID 45376806) is N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-phenylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-phenylthiadiazole-5-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-phenylthiadiazole-5-carboxamide is COc1ccc(CCN(CC2CC2)C(=O)c2snnc2-c2ccccc2)cc1OC.
What is the InChIKey of N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-phenylthiadiazole-5-carboxamide?
The InChIKey is IHUISYOJUQKXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S/c1-28-19-11-10-16(14-20(19)29-2)12-13-26(15-17-8-9-17)23(27)22-21(24-25-30-22)18-6-4-3-5-7-18/h3-7,10-11,14,17H,8-9,12-13,15H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-phenylthiadiazole-5-carboxamide?
N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-phenylthiadiazole-5-carboxamide has a molecular weight of 423.54 g/mol, XLogP of 4.32, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-phenylthiadiazole-5-carboxamide is sourced from PubChem (CID 45376806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).