5-[(1R,2R)-2-[(4,4-difluorocyclohexyl)amino]cyclopropyl]-N-(oxan-4-yl)thiophene-3-carboxamide

C19H26F2N2O2S — CID 118432666

IUPAC5-[(1R,2R)-2-[(4,4-difluorocyclohexyl)amino]cyclopropyl]-N-(oxan-4-yl)thiophene-3-carboxamide
SMILESO=C(NC1CCOCC1)c1csc([C@@H]2C[C@H]2NC2CCC(F)(F)CC2)c1
InChIInChI=1S/C19H26F2N2O2S/c20-19(21)5-1-13(2-6-19)22-16-10-15(16)17-9-12(11-26-17)18(24)23-14-3-7-25-8-4-14/h9,11,13-16,22H,1-8,10H2,(H,23,24)/t15-,16-/m1/s1
InChIKeySKJCRLCQQOURAX-HZPDHXFCSA-N
MW384.49 g/mol
LogP3.68
Rot. Bonds5

About 5-[(1R,2R)-2-[(4,4-difluorocyclohexyl)amino]cyclopropyl]-N-(oxan-4-yl)thiophene-3-carboxamide

5-[(1R,2R)-2-[(4,4-difluorocyclohexyl)amino]cyclopropyl]-N-(oxan-4-yl)thiophene-3-carboxamide (PubChem CID 118432666) has the molecular formula C19H26F2N2O2S and a molecular weight of 384.49 g/mol. Its IUPAC name is 5-[(1R,2R)-2-[(4,4-difluorocyclohexyl)amino]cyclopropyl]-N-(oxan-4-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[(1R,2R)-2-[(4,4-difluorocyclohexyl)amino]cyclopropyl]-N-(oxan-4-yl)thiophene-3-carboxamide
PubChem CID118432666
Molecular FormulaC19H26F2N2O2S
Molecular Weight384.49 g/mol
Exact Mass384.17
IUPAC Name5-[(1R,2R)-2-[(4,4-difluorocyclohexyl)amino]cyclopropyl]-N-(oxan-4-yl)thiophene-3-carboxamide
SMILESO=C(NC1CCOCC1)c1csc([C@@H]2C[C@H]2NC2CCC(F)(F)CC2)c1
InChIInChI=1S/C19H26F2N2O2S/c20-19(21)5-1-13(2-6-19)22-16-10-15(16)17-9-12(11-26-17)18(24)23-14-3-7-25-8-4-14/h9,11,13-16,22H,1-8,10H2,(H,23,24)/t15-,16-/m1/s1
InChIKeySKJCRLCQQOURAX-HZPDHXFCSA-N
XLogP3.68
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.49
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[(1R,2R)-2-[(4,4-difluorocyclohexyl)amino]cyclopropyl]-N-(oxan-4-yl)thiophene-3-carboxamide 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

TAK-418 free base
CID 118432652
5-[(1S,2S)-2-(cyclopropylmethylamino)cyclopropyl]-N-(oxan-4-yl)thiophene-3-carboxamide
CID 118432923
Tak-418
CID 118432651
N-(3,4-difluorobenzyl)-3-[1-(3-thienylcarbonyl)piperidin-3-yl]propanamide
CID 16188964
5-((1R,2R)-2-((tetrahydro-2H-pyran-4-ylmethyl)-amino)cyclopropyl)-N-(1-(2,2,2-trifluoroethyl)-piperidin-4-yl)thiophene-3-carboxamide
CID 118432638
N-(4,4-difluorocyclohexyl)-5-[2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-3-carboxamide
CID 118432650
N-(4,4-difluorocyclohexyl)-5-((1R,2R)-2-((tetrahydro-2H-pyran-4-ylmethyl)-amino)cyclopropyl)-thiophene-3-carboxamide
CID 118432653
N-(4,4-difluorocyclohexyl)-5-methyl-4-[2-(oxan-4-ylamino)cyclopropyl]thiophene-2-carboxamide
CID 118432819
N-(4,4-difluorocyclohexyl)-5-methyl-4-[(1S,2R)-2-(oxan-4-ylamino)cyclopropyl]thiophene-2-carboxamide
CID 118432821
N-(4,4-difluorocyclohexyl)-2-methyl-5-[2-(oxan-4-ylamino)cyclopropyl]thiophene-3-carboxamide
CID 118432828
N-(4,4-difluorocyclohexyl)-5-methyl-4-[2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-2-carboxamide
CID 118432836
N-(4,4-difluorocyclohexyl)-5-methyl-4-[(1R,2S)-2-(oxan-4-ylamino)cyclopropyl]thiophene-2-carboxamide
CID 118432842

Frequently Asked Questions

What is the IUPAC name of 5-[(1R,2R)-2-[(4,4-difluorocyclohexyl)amino]cyclopropyl]-N-(oxan-4-yl)thiophene-3-carboxamide?
The IUPAC name of 5-[(1R,2R)-2-[(4,4-difluorocyclohexyl)amino]cyclopropyl]-N-(oxan-4-yl)thiophene-3-carboxamide (CID 118432666) is 5-[(1R,2R)-2-[(4,4-difluorocyclohexyl)amino]cyclopropyl]-N-(oxan-4-yl)thiophene-3-carboxamide.
What is the SMILES notation for 5-[(1R,2R)-2-[(4,4-difluorocyclohexyl)amino]cyclopropyl]-N-(oxan-4-yl)thiophene-3-carboxamide?
The canonical SMILES for 5-[(1R,2R)-2-[(4,4-difluorocyclohexyl)amino]cyclopropyl]-N-(oxan-4-yl)thiophene-3-carboxamide is O=C(NC1CCOCC1)c1csc([C@@H]2C[C@H]2NC2CCC(F)(F)CC2)c1.
What is the InChIKey of 5-[(1R,2R)-2-[(4,4-difluorocyclohexyl)amino]cyclopropyl]-N-(oxan-4-yl)thiophene-3-carboxamide?
The InChIKey is SKJCRLCQQOURAX-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H26F2N2O2S/c20-19(21)5-1-13(2-6-19)22-16-10-15(16)17-9-12(11-26-17)18(24)23-14-3-7-25-8-4-14/h9,11,13-16,22H,1-8,10H2,(H,23,24)/t15-,16-/m1/s1.
What are the key properties of 5-[(1R,2R)-2-[(4,4-difluorocyclohexyl)amino]cyclopropyl]-N-(oxan-4-yl)thiophene-3-carboxamide?
5-[(1R,2R)-2-[(4,4-difluorocyclohexyl)amino]cyclopropyl]-N-(oxan-4-yl)thiophene-3-carboxamide has a molecular weight of 384.49 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R,2R)-2-[(4,4-difluorocyclohexyl)amino]cyclopropyl]-N-(oxan-4-yl)thiophene-3-carboxamide is sourced from PubChem (CID 118432666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).