N-[cyclobutyl-(4-fluorophenyl)methyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide

C20H21FN2O2S — CID 86891991

IUPACN-[cyclobutyl-(4-fluorophenyl)methyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide
SMILESO=C(NC(c1ccc(F)cc1)C1CCC1)c1ccc(NC(=O)C2CC2)s1
InChIInChI=1S/C20H21FN2O2S/c21-15-8-6-13(7-9-15)18(12-2-1-3-12)23-20(25)16-10-11-17(26-16)22-19(24)14-4-5-14/h6-12,14,18H,1-5H2,(H,22,24)(H,23,25)
InChIKeyLYNBDBYSRRZGOZ-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.51
Rot. Bonds6

About N-[cyclobutyl-(4-fluorophenyl)methyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide

N-[cyclobutyl-(4-fluorophenyl)methyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide (PubChem CID 86891991) has the molecular formula C20H21FN2O2S and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[cyclobutyl-(4-fluorophenyl)methyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[cyclobutyl-(4-fluorophenyl)methyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide
PubChem CID86891991
Molecular FormulaC20H21FN2O2S
Molecular Weight372.47 g/mol
Exact Mass372.13
IUPAC NameN-[cyclobutyl-(4-fluorophenyl)methyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide
SMILESO=C(NC(c1ccc(F)cc1)C1CCC1)c1ccc(NC(=O)C2CC2)s1
InChIInChI=1S/C20H21FN2O2S/c21-15-8-6-13(7-9-15)18(12-2-1-3-12)23-20(25)16-10-11-17(26-16)22-19(24)14-4-5-14/h6-12,14,18H,1-5H2,(H,22,24)(H,23,25)
InChIKeyLYNBDBYSRRZGOZ-UHFFFAOYSA-N
XLogP4.51
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(cyclopropanecarbonylamino)-N-[(1S)-1-(4-fluorophenyl)ethyl]thiophene-2-carboxamide
CID 25487382
5-(cyclopropanecarbonylamino)-N-propan-2-ylthiophene-2-carboxamide
CID 18135400
3-amino-N-[cyclobutyl-(4-fluorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119775064
methyl 2-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]propanoate
CID 60712496
5-(cyclopropanecarbonylamino)-N-(1-hydroxypropan-2-yl)thiophene-2-carboxamide
CID 43418626
3-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]butanoic acid
CID 43172671
2-(4-fluorophenyl)ethyl 5-(cyclopropanecarbonylamino)thiophene-2-carboxylate
CID 86937892
5-(cyclopropanecarbonylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-2-carboxamide
CID 103722934
N-[cyclopropyl-(4-fluorophenyl)methyl]-2-hydroxycyclopentane-1-carboxamide
CID 110015746
N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 51951497
4-amino-N-[cyclobutyl-(4-fluorophenyl)methyl]butanamide
CID 119318592
4-(aminomethyl)-N-[cyclopentyl-(4-fluorophenyl)methyl]benzamide;hydrochloride
CID 119295925

Frequently Asked Questions

What is the IUPAC name of N-[cyclobutyl-(4-fluorophenyl)methyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide?
The IUPAC name of N-[cyclobutyl-(4-fluorophenyl)methyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide (CID 86891991) is N-[cyclobutyl-(4-fluorophenyl)methyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide.
What is the SMILES notation for N-[cyclobutyl-(4-fluorophenyl)methyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide?
The canonical SMILES for N-[cyclobutyl-(4-fluorophenyl)methyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide is O=C(NC(c1ccc(F)cc1)C1CCC1)c1ccc(NC(=O)C2CC2)s1.
What is the InChIKey of N-[cyclobutyl-(4-fluorophenyl)methyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide?
The InChIKey is LYNBDBYSRRZGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2S/c21-15-8-6-13(7-9-15)18(12-2-1-3-12)23-20(25)16-10-11-17(26-16)22-19(24)14-4-5-14/h6-12,14,18H,1-5H2,(H,22,24)(H,23,25).
What are the key properties of N-[cyclobutyl-(4-fluorophenyl)methyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide?
N-[cyclobutyl-(4-fluorophenyl)methyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 4.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclobutyl-(4-fluorophenyl)methyl]-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide is sourced from PubChem (CID 86891991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).