5-(cyclopropanecarbonylamino)-N-(4-methyl-4-phenylpentan-2-yl)thiophene-2-carboxamide

C21H26N2O2S — CID 86848327

IUPAC5-(cyclopropanecarbonylamino)-N-(4-methyl-4-phenylpentan-2-yl)thiophene-2-carboxamide
SMILESCC(CC(C)(C)c1ccccc1)NC(=O)c1ccc(NC(=O)C2CC2)s1
InChIInChI=1S/C21H26N2O2S/c1-14(13-21(2,3)16-7-5-4-6-8-16)22-20(25)17-11-12-18(26-17)23-19(24)15-9-10-15/h4-8,11-12,14-15H,9-10,13H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyZIWSKOBEAXHVOZ-UHFFFAOYSA-N
MW370.52 g/mol
LogP4.58
Rot. Bonds7

About 5-(cyclopropanecarbonylamino)-N-(4-methyl-4-phenylpentan-2-yl)thiophene-2-carboxamide

5-(cyclopropanecarbonylamino)-N-(4-methyl-4-phenylpentan-2-yl)thiophene-2-carboxamide (PubChem CID 86848327) has the molecular formula C21H26N2O2S and a molecular weight of 370.52 g/mol. Its IUPAC name is 5-(cyclopropanecarbonylamino)-N-(4-methyl-4-phenylpentan-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(cyclopropanecarbonylamino)-N-(4-methyl-4-phenylpentan-2-yl)thiophene-2-carboxamide
PubChem CID86848327
Molecular FormulaC21H26N2O2S
Molecular Weight370.52 g/mol
Exact Mass370.17
IUPAC Name5-(cyclopropanecarbonylamino)-N-(4-methyl-4-phenylpentan-2-yl)thiophene-2-carboxamide
SMILESCC(CC(C)(C)c1ccccc1)NC(=O)c1ccc(NC(=O)C2CC2)s1
InChIInChI=1S/C21H26N2O2S/c1-14(13-21(2,3)16-7-5-4-6-8-16)22-20(25)17-11-12-18(26-17)23-19(24)15-9-10-15/h4-8,11-12,14-15H,9-10,13H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyZIWSKOBEAXHVOZ-UHFFFAOYSA-N
XLogP4.58
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]butanoic acid
CID 43172671
5-(cyclopropanecarbonylamino)-N-(1-hydroxypropan-2-yl)thiophene-2-carboxamide
CID 43418626
N-[(2R)-4-methyl-4-phenylpentan-2-yl]cyclopropanecarboxamide
CID 95376601
5-(cyclopropanecarbonylamino)-N-propan-2-ylthiophene-2-carboxamide
CID 18135400
methyl 2-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]propanoate
CID 60712496
3-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-3-methylbutanoic acid
CID 64671529
2-amino-N-[(2R)-4-methyl-4-phenylpentan-2-yl]-1,3-thiazole-5-carboxamide
CID 125439790
3-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66173156
5-(cyclopropanecarbonylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-2-carboxamide
CID 103722934
5-(cyclopropanecarbonylamino)-N-[(1S)-1-(4-fluorophenyl)ethyl]thiophene-2-carboxamide
CID 25487382
5-(cyclopropanecarbonylamino)-N-(2-ethylbutyl)thiophene-2-carboxamide
CID 115612892
4-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-2-hydroxybutanoic acid
CID 107832422

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropanecarbonylamino)-N-(4-methyl-4-phenylpentan-2-yl)thiophene-2-carboxamide?
The IUPAC name of 5-(cyclopropanecarbonylamino)-N-(4-methyl-4-phenylpentan-2-yl)thiophene-2-carboxamide (CID 86848327) is 5-(cyclopropanecarbonylamino)-N-(4-methyl-4-phenylpentan-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(cyclopropanecarbonylamino)-N-(4-methyl-4-phenylpentan-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-(cyclopropanecarbonylamino)-N-(4-methyl-4-phenylpentan-2-yl)thiophene-2-carboxamide is CC(CC(C)(C)c1ccccc1)NC(=O)c1ccc(NC(=O)C2CC2)s1.
What is the InChIKey of 5-(cyclopropanecarbonylamino)-N-(4-methyl-4-phenylpentan-2-yl)thiophene-2-carboxamide?
The InChIKey is ZIWSKOBEAXHVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2S/c1-14(13-21(2,3)16-7-5-4-6-8-16)22-20(25)17-11-12-18(26-17)23-19(24)15-9-10-15/h4-8,11-12,14-15H,9-10,13H2,1-3H3,(H,22,25)(H,23,24).
What are the key properties of 5-(cyclopropanecarbonylamino)-N-(4-methyl-4-phenylpentan-2-yl)thiophene-2-carboxamide?
5-(cyclopropanecarbonylamino)-N-(4-methyl-4-phenylpentan-2-yl)thiophene-2-carboxamide has a molecular weight of 370.52 g/mol, XLogP of 4.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropanecarbonylamino)-N-(4-methyl-4-phenylpentan-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 86848327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).