N-[1-(tert-butylamino)-1-oxopropan-2-yl]-N-(furan-2-ylmethyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide

C25H28N4O3S — CID 655128

IUPACN-[1-(tert-butylamino)-1-oxopropan-2-yl]-N-(furan-2-ylmethyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(-c2ccccc2)c2sc(C(=O)N(Cc3ccco3)C(C)C(=O)NC(C)(C)C)cc12
InChIInChI=1S/C25H28N4O3S/c1-16-20-14-21(33-24(20)29(27-16)18-10-7-6-8-11-18)23(31)28(15-19-12-9-13-32-19)17(2)22(30)26-25(3,4)5/h6-14,17H,15H2,1-5H3,(H,26,30)
InChIKeyJVQJAESWJNHISG-UHFFFAOYSA-N
MW464.59 g/mol
LogP4.93
Rot. Bonds6

About N-[1-(tert-butylamino)-1-oxopropan-2-yl]-N-(furan-2-ylmethyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide

N-[1-(tert-butylamino)-1-oxopropan-2-yl]-N-(furan-2-ylmethyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 655128) has the molecular formula C25H28N4O3S and a molecular weight of 464.59 g/mol. Its IUPAC name is N-[1-(tert-butylamino)-1-oxopropan-2-yl]-N-(furan-2-ylmethyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(tert-butylamino)-1-oxopropan-2-yl]-N-(furan-2-ylmethyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID655128
Molecular FormulaC25H28N4O3S
Molecular Weight464.59 g/mol
Exact Mass464.19
IUPAC NameN-[1-(tert-butylamino)-1-oxopropan-2-yl]-N-(furan-2-ylmethyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(-c2ccccc2)c2sc(C(=O)N(Cc3ccco3)C(C)C(=O)NC(C)(C)C)cc12
InChIInChI=1S/C25H28N4O3S/c1-16-20-14-21(33-24(20)29(27-16)18-10-7-6-8-11-18)23(31)28(15-19-12-9-13-32-19)17(2)22(30)26-25(3,4)5/h6-14,17H,15H2,1-5H3,(H,26,30)
InChIKeyJVQJAESWJNHISG-UHFFFAOYSA-N
XLogP4.93
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.59
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-ethoxyphenyl)-3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 1907611
N-[2-(tert-butylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)-3-methyl-1-phenylthieno[2,3-c]pyrazole-5-carboxamide
CID 644441
3-Methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxylic acid cyclopentylcarbamoylmethyl-furan-2-ylmethyl-amide
CID 649983
4-Benzyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid (furan-2-ylmethyl)-amide
CID 651472
3-(2-fluorophenyl)-5-{[4-(2-furoyl)piperazin-1-yl]carbonyl}-1-methyl-1H-thieno[2,3-c]pyrazole
CID 3243355
N-(2-furylmethyl)-3-(3-methoxyphenyl)-1-methyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 3244133
1-cyclohexyl-3-methyl-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 57698057
1-cyclohexyl-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 57698069
1-cyclohexyl-3-methyl-N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]phenyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 57698249
4-(2-Oxo-2-phenyl-ethyl)-4H-thieno[3,2-b]pyrrole-5-carboxylic acid (furan-2-ylmethyl)-amide
CID 646759
N-(2-methoxyphenyl)-3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 1079710
3-(3-methoxyphenyl)-1-methyl-N-[(5-methyl-2-furyl)methyl]-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 3238005

Frequently Asked Questions

What is the IUPAC name of N-[1-(tert-butylamino)-1-oxopropan-2-yl]-N-(furan-2-ylmethyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-[1-(tert-butylamino)-1-oxopropan-2-yl]-N-(furan-2-ylmethyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide (CID 655128) is N-[1-(tert-butylamino)-1-oxopropan-2-yl]-N-(furan-2-ylmethyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-[1-(tert-butylamino)-1-oxopropan-2-yl]-N-(furan-2-ylmethyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-[1-(tert-butylamino)-1-oxopropan-2-yl]-N-(furan-2-ylmethyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(-c2ccccc2)c2sc(C(=O)N(Cc3ccco3)C(C)C(=O)NC(C)(C)C)cc12.
What is the InChIKey of N-[1-(tert-butylamino)-1-oxopropan-2-yl]-N-(furan-2-ylmethyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is JVQJAESWJNHISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3S/c1-16-20-14-21(33-24(20)29(27-16)18-10-7-6-8-11-18)23(31)28(15-19-12-9-13-32-19)17(2)22(30)26-25(3,4)5/h6-14,17H,15H2,1-5H3,(H,26,30).
What are the key properties of N-[1-(tert-butylamino)-1-oxopropan-2-yl]-N-(furan-2-ylmethyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-N-(furan-2-ylmethyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 464.59 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(tert-butylamino)-1-oxopropan-2-yl]-N-(furan-2-ylmethyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 655128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).