N-(4,4-dimethyl-1-phenylpentan-2-yl)-2-(furan-3-yl)-5-(2-methylpyrazol-3-yl)thiophene-3-carboxamide

C26H29N3O2S — CID 118074782

IUPACN-(4,4-dimethyl-1-phenylpentan-2-yl)-2-(furan-3-yl)-5-(2-methylpyrazol-3-yl)thiophene-3-carboxamide
SMILESCn1nccc1-c1cc(C(=O)NC(Cc2ccccc2)CC(C)(C)C)c(-c2ccoc2)s1
InChIInChI=1S/C26H29N3O2S/c1-26(2,3)16-20(14-18-8-6-5-7-9-18)28-25(30)21-15-23(22-10-12-27-29(22)4)32-24(21)19-11-13-31-17-19/h5-13,15,17,20H,14,16H2,1-4H3,(H,28,30)
InChIKeyFYIFRTNWLADBIQ-UHFFFAOYSA-N
MW447.60 g/mol
LogP6.19
Rot. Bonds7

About N-(4,4-dimethyl-1-phenylpentan-2-yl)-2-(furan-3-yl)-5-(2-methylpyrazol-3-yl)thiophene-3-carboxamide

N-(4,4-dimethyl-1-phenylpentan-2-yl)-2-(furan-3-yl)-5-(2-methylpyrazol-3-yl)thiophene-3-carboxamide (PubChem CID 118074782) has the molecular formula C26H29N3O2S and a molecular weight of 447.60 g/mol. Its IUPAC name is N-(4,4-dimethyl-1-phenylpentan-2-yl)-2-(furan-3-yl)-5-(2-methylpyrazol-3-yl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(4,4-dimethyl-1-phenylpentan-2-yl)-2-(furan-3-yl)-5-(2-methylpyrazol-3-yl)thiophene-3-carboxamide
PubChem CID118074782
Molecular FormulaC26H29N3O2S
Molecular Weight447.60 g/mol
Exact Mass447.20
IUPAC NameN-(4,4-dimethyl-1-phenylpentan-2-yl)-2-(furan-3-yl)-5-(2-methylpyrazol-3-yl)thiophene-3-carboxamide
SMILESCn1nccc1-c1cc(C(=O)NC(Cc2ccccc2)CC(C)(C)C)c(-c2ccoc2)s1
InChIInChI=1S/C26H29N3O2S/c1-26(2,3)16-20(14-18-8-6-5-7-9-18)28-25(30)21-15-23(22-10-12-27-29(22)4)32-24(21)19-11-13-31-17-19/h5-13,15,17,20H,14,16H2,1-4H3,(H,28,30)
InChIKeyFYIFRTNWLADBIQ-UHFFFAOYSA-N
XLogP6.19
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.60
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2-[[5-(2-methylpyrazol-3-yl)thiophene-3-carbonyl]amino]-3-phenylpropyl]carbamate
CID 58172923
4-bromo-5-(2-methylpyrazol-3-yl)-N-(1-phenylpentan-2-yl)thiophene-2-carboxamide
CID 58201475
tert-butyl N-[2-[[4-bromo-5-(2-methylpyrazol-3-yl)thiophene-2-carbonyl]amino]-3-phenylpropyl]carbamate
CID 91528949
N-(1-amino-3-phenylpropan-2-yl)-5-chloro-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide
CID 24993446
N-(1-amino-3-phenylpropan-2-yl)-3-methyl-4-(2-methylpyrazol-3-yl)benzamide
CID 25050634
N-(1-amino-3-phenylpropan-2-yl)-3-bromo-4-(2-methylpyrazol-3-yl)benzamide
CID 25050984
5-[2-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-[1-(methylamino)-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 70316389
N-(3,4-dioxo-1-phenylpentan-2-yl)-3-(furan-3-yl)-1-methylpyrazole-4-carboxamide
CID 158752445
[4,4-dimethyl-2-[[5-(2-methylpyrazol-3-yl)pyridine-2-carbonyl]amino]-1-phenylpentan-3-yl]carbamic acid
CID 69089025
N-tert-butyl-N-[2-[[4-(2-methylpyrazol-3-yl)-3-(trifluoromethyl)benzoyl]amino]-3-phenylpropyl]carbamate
CID 86642132
[2-[hydroxy-[4-(2-methylpyrazol-3-yl)thiophene-2-carbonyl]amino]-4,4-dimethyl-1-phenylpentan-3-yl]carbamic acid
CID 87687279
5-benzyl-N-(1-hydroxy-3-pyridin-3-ylpropan-2-yl)-1-methylpyrazole-4-carboxamide
CID 166237556

Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethyl-1-phenylpentan-2-yl)-2-(furan-3-yl)-5-(2-methylpyrazol-3-yl)thiophene-3-carboxamide?
The IUPAC name of N-(4,4-dimethyl-1-phenylpentan-2-yl)-2-(furan-3-yl)-5-(2-methylpyrazol-3-yl)thiophene-3-carboxamide (CID 118074782) is N-(4,4-dimethyl-1-phenylpentan-2-yl)-2-(furan-3-yl)-5-(2-methylpyrazol-3-yl)thiophene-3-carboxamide.
What is the SMILES notation for N-(4,4-dimethyl-1-phenylpentan-2-yl)-2-(furan-3-yl)-5-(2-methylpyrazol-3-yl)thiophene-3-carboxamide?
The canonical SMILES for N-(4,4-dimethyl-1-phenylpentan-2-yl)-2-(furan-3-yl)-5-(2-methylpyrazol-3-yl)thiophene-3-carboxamide is Cn1nccc1-c1cc(C(=O)NC(Cc2ccccc2)CC(C)(C)C)c(-c2ccoc2)s1.
What is the InChIKey of N-(4,4-dimethyl-1-phenylpentan-2-yl)-2-(furan-3-yl)-5-(2-methylpyrazol-3-yl)thiophene-3-carboxamide?
The InChIKey is FYIFRTNWLADBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2S/c1-26(2,3)16-20(14-18-8-6-5-7-9-18)28-25(30)21-15-23(22-10-12-27-29(22)4)32-24(21)19-11-13-31-17-19/h5-13,15,17,20H,14,16H2,1-4H3,(H,28,30).
What are the key properties of N-(4,4-dimethyl-1-phenylpentan-2-yl)-2-(furan-3-yl)-5-(2-methylpyrazol-3-yl)thiophene-3-carboxamide?
N-(4,4-dimethyl-1-phenylpentan-2-yl)-2-(furan-3-yl)-5-(2-methylpyrazol-3-yl)thiophene-3-carboxamide has a molecular weight of 447.60 g/mol, XLogP of 6.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethyl-1-phenylpentan-2-yl)-2-(furan-3-yl)-5-(2-methylpyrazol-3-yl)thiophene-3-carboxamide is sourced from PubChem (CID 118074782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).