N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-[2-(3-methylphenyl)ethyl]thiadiazole-4-carboxamide

C19H26N4O2S — CID 3222309

IUPACN-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-[2-(3-methylphenyl)ethyl]thiadiazole-4-carboxamide
SMILESCCC(C)(C)NC(=O)CN(CCc1cccc(C)c1)C(=O)c1csnn1
InChIInChI=1S/C19H26N4O2S/c1-5-19(3,4)20-17(24)12-23(18(25)16-13-26-22-21-16)10-9-15-8-6-7-14(2)11-15/h6-8,11,13H,5,9-10,12H2,1-4H3,(H,20,24)
InChIKeyRJZSMUFOJACFCA-UHFFFAOYSA-N
MW374.51 g/mol
LogP2.84
Rot. Bonds8

About N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-[2-(3-methylphenyl)ethyl]thiadiazole-4-carboxamide

N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-[2-(3-methylphenyl)ethyl]thiadiazole-4-carboxamide (PubChem CID 3222309) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-[2-(3-methylphenyl)ethyl]thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-[2-(3-methylphenyl)ethyl]thiadiazole-4-carboxamide
PubChem CID3222309
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC NameN-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-[2-(3-methylphenyl)ethyl]thiadiazole-4-carboxamide
SMILESCCC(C)(C)NC(=O)CN(CCc1cccc(C)c1)C(=O)c1csnn1
InChIInChI=1S/C19H26N4O2S/c1-5-19(3,4)20-17(24)12-23(18(25)16-13-26-22-21-16)10-9-15-8-6-7-14(2)11-15/h6-8,11,13H,5,9-10,12H2,1-4H3,(H,20,24)
InChIKeyRJZSMUFOJACFCA-UHFFFAOYSA-N
XLogP2.84
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(3-methylphenyl)thiadiazole-4-carboxamide
CID 3221805
N-[(1S)-1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(3-methylphenyl)thiadiazole-4-carboxamide
CID 7434843
N-[2-(tert-butylamino)-2-oxoethyl]-N-(2,6-dimethylphenyl)thiadiazole-4-carboxamide
CID 3222156
N-[(1R)-2-(tert-butylamino)-1-(3-methylphenyl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide
CID 7434827
N-(3-fluorophenyl)-N-[1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]thiadiazole-4-carboxamide
CID 652112
N-[1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(4-methylphenyl)thiadiazole-4-carboxamide
CID 3221842
N-[(1R)-2-(tert-butylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(3-methylphenyl)thiadiazole-4-carboxamide
CID 7404366
N-[2-(tert-butylamino)-1-(3-methylphenyl)-2-oxoethyl]-N-(4-fluorophenyl)thiadiazole-4-carboxamide
CID 3221759
N-[(1R)-2-(tert-butylamino)-1-(4-chlorophenyl)-2-oxoethyl]-N-(3-methylphenyl)thiadiazole-4-carboxamide
CID 25410234
N-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methoxy-5-methylphenyl)thiadiazole-4-carboxamide
CID 3222025
N-[2-(tert-butylamino)-2-oxoethyl]-N-(3-chlorophenyl)thiadiazole-4-carboxamide
CID 4995947
N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-phenylethyl]-N-(pyridin-3-ylmethyl)thiadiazole-4-carboxamide
CID 3222562

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-[2-(3-methylphenyl)ethyl]thiadiazole-4-carboxamide?
The IUPAC name of N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-[2-(3-methylphenyl)ethyl]thiadiazole-4-carboxamide (CID 3222309) is N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-[2-(3-methylphenyl)ethyl]thiadiazole-4-carboxamide.
What is the SMILES notation for N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-[2-(3-methylphenyl)ethyl]thiadiazole-4-carboxamide?
The canonical SMILES for N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-[2-(3-methylphenyl)ethyl]thiadiazole-4-carboxamide is CCC(C)(C)NC(=O)CN(CCc1cccc(C)c1)C(=O)c1csnn1.
What is the InChIKey of N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-[2-(3-methylphenyl)ethyl]thiadiazole-4-carboxamide?
The InChIKey is RJZSMUFOJACFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2S/c1-5-19(3,4)20-17(24)12-23(18(25)16-13-26-22-21-16)10-9-15-8-6-7-14(2)11-15/h6-8,11,13H,5,9-10,12H2,1-4H3,(H,20,24).
What are the key properties of N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-[2-(3-methylphenyl)ethyl]thiadiazole-4-carboxamide?
N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-[2-(3-methylphenyl)ethyl]thiadiazole-4-carboxamide has a molecular weight of 374.51 g/mol, XLogP of 2.84, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-[2-(3-methylphenyl)ethyl]thiadiazole-4-carboxamide is sourced from PubChem (CID 3222309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).