N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-4-(4-methoxyphenyl)thiophene-2-carboxamide

C27H27N3O4S — CID 59420709

IUPACN-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-4-(4-methoxyphenyl)thiophene-2-carboxamide
SMILESCOc1ccc(-c2csc(C(=O)Nc3ccc(CC(=O)Nc4cc(C(C)(C)C)on4)cc3)c2)cc1
InChIInChI=1S/C27H27N3O4S/c1-27(2,3)23-15-24(30-34-23)29-25(31)13-17-5-9-20(10-6-17)28-26(32)22-14-19(16-35-22)18-7-11-21(33-4)12-8-18/h5-12,14-16H,13H2,1-4H3,(H,28,32)(H,29,30,31)
InChIKeyCFONVRZRIBEEDO-UHFFFAOYSA-N
MW489.60 g/mol
LogP6.14
Rot. Bonds7

About N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-4-(4-methoxyphenyl)thiophene-2-carboxamide

N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-4-(4-methoxyphenyl)thiophene-2-carboxamide (PubChem CID 59420709) has the molecular formula C27H27N3O4S and a molecular weight of 489.60 g/mol. Its IUPAC name is N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-4-(4-methoxyphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-4-(4-methoxyphenyl)thiophene-2-carboxamide
PubChem CID59420709
Molecular FormulaC27H27N3O4S
Molecular Weight489.60 g/mol
Exact Mass489.17
IUPAC NameN-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-4-(4-methoxyphenyl)thiophene-2-carboxamide
SMILESCOc1ccc(-c2csc(C(=O)Nc3ccc(CC(=O)Nc4cc(C(C)(C)C)on4)cc3)c2)cc1
InChIInChI=1S/C27H27N3O4S/c1-27(2,3)23-15-24(30-34-23)29-25(31)13-17-5-9-20(10-6-17)28-26(32)22-14-19(16-35-22)18-7-11-21(33-4)12-8-18/h5-12,14-16H,13H2,1-4H3,(H,28,32)(H,29,30,31)
InChIKeyCFONVRZRIBEEDO-UHFFFAOYSA-N
XLogP6.14
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.60
LogP ≤ 56.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[[4-(4-methoxyphenyl)thiophene-2-carbonyl]amino]phenyl]acetic acid
CID 10338959
4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(4-methylphenyl)benzamide
CID 59420454
N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 59420682
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(4-methoxyanilino)phenyl]urea
CID 59381112
2-[4-(6-amino-2-methoxy-3-pyridinyl)phenyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)acetamide
CID 66967674
3-bromo-N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]benzamide
CID 59420609
4-(aminomethyl)-N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]pyridine-2-carboxamide;hydrochloride
CID 54760815
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(4-methoxyphenyl)-2-methylfuran-3-carboxamide
CID 59381091
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)amino]phenyl]-5-(3-methoxyphenyl)furan-2-carboxamide
CID 143053482
N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-2-(4,6-dimethoxypyrimidin-2-yl)cyclohexane-1-carboxamide
CID 59420539
ethyl 2-[4-[[4-(4-hydroxyphenyl)thiophene-2-carbonyl]amino]phenyl]acetate
CID 142863681
N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-6-chloroimidazo[1,2-b]pyridazine-2-carboxamide
CID 59420495

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-4-(4-methoxyphenyl)thiophene-2-carboxamide?
The IUPAC name of N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-4-(4-methoxyphenyl)thiophene-2-carboxamide (CID 59420709) is N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-4-(4-methoxyphenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-4-(4-methoxyphenyl)thiophene-2-carboxamide?
The canonical SMILES for N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-4-(4-methoxyphenyl)thiophene-2-carboxamide is COc1ccc(-c2csc(C(=O)Nc3ccc(CC(=O)Nc4cc(C(C)(C)C)on4)cc3)c2)cc1.
What is the InChIKey of N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-4-(4-methoxyphenyl)thiophene-2-carboxamide?
The InChIKey is CFONVRZRIBEEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O4S/c1-27(2,3)23-15-24(30-34-23)29-25(31)13-17-5-9-20(10-6-17)28-26(32)22-14-19(16-35-22)18-7-11-21(33-4)12-8-18/h5-12,14-16H,13H2,1-4H3,(H,28,32)(H,29,30,31).
What are the key properties of N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-4-(4-methoxyphenyl)thiophene-2-carboxamide?
N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-4-(4-methoxyphenyl)thiophene-2-carboxamide has a molecular weight of 489.60 g/mol, XLogP of 6.14, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-4-(4-methoxyphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 59420709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).