tert-butyl 4-[[5-(2-methylpyrazol-3-yl)thiophene-3-carbonyl]amino]-4-phenylbutanoate

C23H27N3O3S — CID 58172915

IUPACtert-butyl 4-[[5-(2-methylpyrazol-3-yl)thiophene-3-carbonyl]amino]-4-phenylbutanoate
SMILESCn1nccc1-c1cc(C(=O)NC(CCC(=O)OC(C)(C)C)c2ccccc2)cs1
InChIInChI=1S/C23H27N3O3S/c1-23(2,3)29-21(27)11-10-18(16-8-6-5-7-9-16)25-22(28)17-14-20(30-15-17)19-12-13-24-26(19)4/h5-9,12-15,18H,10-11H2,1-4H3,(H,25,28)
InChIKeyUEFRTJNEZQLAIO-UHFFFAOYSA-N
MW425.55 g/mol
LogP4.74
Rot. Bonds7

About tert-butyl 4-[[5-(2-methylpyrazol-3-yl)thiophene-3-carbonyl]amino]-4-phenylbutanoate

tert-butyl 4-[[5-(2-methylpyrazol-3-yl)thiophene-3-carbonyl]amino]-4-phenylbutanoate (PubChem CID 58172915) has the molecular formula C23H27N3O3S and a molecular weight of 425.55 g/mol. Its IUPAC name is tert-butyl 4-[[5-(2-methylpyrazol-3-yl)thiophene-3-carbonyl]amino]-4-phenylbutanoate.

Molecular Properties

Compound Nametert-butyl 4-[[5-(2-methylpyrazol-3-yl)thiophene-3-carbonyl]amino]-4-phenylbutanoate
PubChem CID58172915
Molecular FormulaC23H27N3O3S
Molecular Weight425.55 g/mol
Exact Mass425.18
IUPAC Nametert-butyl 4-[[5-(2-methylpyrazol-3-yl)thiophene-3-carbonyl]amino]-4-phenylbutanoate
SMILESCn1nccc1-c1cc(C(=O)NC(CCC(=O)OC(C)(C)C)c2ccccc2)cs1
InChIInChI=1S/C23H27N3O3S/c1-23(2,3)29-21(27)11-10-18(16-8-6-5-7-9-16)25-22(28)17-14-20(30-15-17)19-12-13-24-26(19)4/h5-9,12-15,18H,10-11H2,1-4H3,(H,25,28)
InChIKeyUEFRTJNEZQLAIO-UHFFFAOYSA-N
XLogP4.74
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 4-[[5-(2-methylpyrazol-3-yl)thiophene-3-carbonyl]amino]-4-phenylbutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[2-[[5-(2-methylpyrazol-3-yl)thiophene-3-carbonyl]amino]-3-phenylpropyl]carbamate
CID 58172923
N-[(2S)-1-amino-3-(2-fluorophenyl)propan-2-yl]-5-(2-methylpyrazol-3-yl)thiophene-3-carboxamide
CID 24997125
methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutanoate
CID 56979796
tert-butyl 4-(phenylmethoxycarbonylamino)-4-pyridin-4-ylbutanoate
CID 132512694
ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutanoate
CID 121415297
tert-butyl N-[(1S)-4-(methylamino)-4-oxo-1-phenylbutyl]carbamate
CID 95338637
tert-butyl N-[(1R)-4-(methylamino)-4-oxo-1-phenylbutyl]carbamate
CID 95338638
4-[(5-methylsulfonylthiophene-3-carbonyl)amino]-4-phenylbutanoic acid
CID 120686328
5-bromo-N-(3,3-dimethyl-1-phenylbutyl)thiophene-3-carboxamide
CID 63524050
tert-butyl N-[(4S)-4-phenyl-4-[(4-pyrazol-1-ylpyridine-2-carbonyl)amino]butyl]carbamate
CID 124886818
5-acetyl-N-[(1R)-3-imidazol-1-yl-1-phenylpropyl]thiophene-3-carboxamide
CID 99939338
tert-butyl 4-[2-[(5-methylthiophene-3-carbonyl)amino]-2-phenylethyl]piperidine-1-carboxylate
CID 137373079

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[5-(2-methylpyrazol-3-yl)thiophene-3-carbonyl]amino]-4-phenylbutanoate?
The IUPAC name of tert-butyl 4-[[5-(2-methylpyrazol-3-yl)thiophene-3-carbonyl]amino]-4-phenylbutanoate (CID 58172915) is tert-butyl 4-[[5-(2-methylpyrazol-3-yl)thiophene-3-carbonyl]amino]-4-phenylbutanoate.
What is the SMILES notation for tert-butyl 4-[[5-(2-methylpyrazol-3-yl)thiophene-3-carbonyl]amino]-4-phenylbutanoate?
The canonical SMILES for tert-butyl 4-[[5-(2-methylpyrazol-3-yl)thiophene-3-carbonyl]amino]-4-phenylbutanoate is Cn1nccc1-c1cc(C(=O)NC(CCC(=O)OC(C)(C)C)c2ccccc2)cs1.
What is the InChIKey of tert-butyl 4-[[5-(2-methylpyrazol-3-yl)thiophene-3-carbonyl]amino]-4-phenylbutanoate?
The InChIKey is UEFRTJNEZQLAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3S/c1-23(2,3)29-21(27)11-10-18(16-8-6-5-7-9-16)25-22(28)17-14-20(30-15-17)19-12-13-24-26(19)4/h5-9,12-15,18H,10-11H2,1-4H3,(H,25,28).
What are the key properties of tert-butyl 4-[[5-(2-methylpyrazol-3-yl)thiophene-3-carbonyl]amino]-4-phenylbutanoate?
tert-butyl 4-[[5-(2-methylpyrazol-3-yl)thiophene-3-carbonyl]amino]-4-phenylbutanoate has a molecular weight of 425.55 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[5-(2-methylpyrazol-3-yl)thiophene-3-carbonyl]amino]-4-phenylbutanoate is sourced from PubChem (CID 58172915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).