4-[2-(cyclopropylmethylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)-5-methylthiophene-2-carboxamide

C19H26F2N2OS — CID 118432877

IUPAC4-[2-(cyclopropylmethylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)-5-methylthiophene-2-carboxamide
SMILESCc1sc(C(=O)NC2CCC(F)(F)CC2)cc1C1CC1NCC1CC1
InChIInChI=1S/C19H26F2N2OS/c1-11-14(15-8-16(15)22-10-12-2-3-12)9-17(25-11)18(24)23-13-4-6-19(20,21)7-5-13/h9,12-13,15-16,22H,2-8,10H2,1H3,(H,23,24)
InChIKeyZJDFCVDQHQZBTI-UHFFFAOYSA-N
MW368.49 g/mol
LogP4.22
Rot. Bonds6

About 4-[2-(cyclopropylmethylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)-5-methylthiophene-2-carboxamide

4-[2-(cyclopropylmethylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)-5-methylthiophene-2-carboxamide (PubChem CID 118432877) has the molecular formula C19H26F2N2OS and a molecular weight of 368.49 g/mol. Its IUPAC name is 4-[2-(cyclopropylmethylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-[2-(cyclopropylmethylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)-5-methylthiophene-2-carboxamide
PubChem CID118432877
Molecular FormulaC19H26F2N2OS
Molecular Weight368.49 g/mol
Exact Mass368.17
IUPAC Name4-[2-(cyclopropylmethylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)-5-methylthiophene-2-carboxamide
SMILESCc1sc(C(=O)NC2CCC(F)(F)CC2)cc1C1CC1NCC1CC1
InChIInChI=1S/C19H26F2N2OS/c1-11-14(15-8-16(15)22-10-12-2-3-12)9-17(25-11)18(24)23-13-4-6-19(20,21)7-5-13/h9,12-13,15-16,22H,2-8,10H2,1H3,(H,23,24)
InChIKeyZJDFCVDQHQZBTI-UHFFFAOYSA-N
XLogP4.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[2-(cyclopropylmethylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)-5-methylthiophene-2-carboxamide with MolForge

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Related Compounds

4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-5-methyl-N-(oxan-4-yl)thiophene-2-carboxamide;hydrochloride
CID 118432865
N-cyclopentyl-5-methyl-4-[2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-2-carboxamide
CID 118433180
5-[(1R,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)-2-methylthiophene-3-carboxamide;hydrochloride
CID 118433325
4-[(1R,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)-1,3-thiazole-2-carboxamide
CID 118432835
5-[2-(cyclopropylmethylamino)cyclopropyl]-2-methyl-N-(oxan-4-yl)thiophene-3-carboxamide;hydrochloride
CID 118433146
4-[(1S,2R)-2-aminocyclopropyl]-5-methyl-N-(oxan-4-yl)thiophene-2-carboxamide
CID 118432628
3-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-4-methyl-N-(oxan-4-yl)benzamide;hydrochloride
CID 118304183
3-[(1S,2R)-2-aminocyclopropyl]-N-(4,4-difluorocyclohexyl)-5-methylthiophene-2-carboxamide
CID 142797628
5-(2-aminocyclopropyl)-N-(4,4-difluorocyclohexyl)-2-methylthiophene-3-carboxamide;hydrochloride
CID 118432737
N-(4,4-difluorocyclohexyl)-5-[(1R)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]cyclopropyl]thiophene-3-carboxamide
CID 170257409
N-cyclopentyl-5-[2-(cyclopropylmethylamino)cyclopropyl]thiophene-3-carboxamide
CID 118432933
6-chloro-N-(4,4-difluorocyclohexyl)thieno[3,2-c]pyridine-2-carboxamide
CID 166390917

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclopropylmethylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)-5-methylthiophene-2-carboxamide?
The IUPAC name of 4-[2-(cyclopropylmethylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)-5-methylthiophene-2-carboxamide (CID 118432877) is 4-[2-(cyclopropylmethylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)-5-methylthiophene-2-carboxamide.
What is the SMILES notation for 4-[2-(cyclopropylmethylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)-5-methylthiophene-2-carboxamide?
The canonical SMILES for 4-[2-(cyclopropylmethylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)-5-methylthiophene-2-carboxamide is Cc1sc(C(=O)NC2CCC(F)(F)CC2)cc1C1CC1NCC1CC1.
What is the InChIKey of 4-[2-(cyclopropylmethylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)-5-methylthiophene-2-carboxamide?
The InChIKey is ZJDFCVDQHQZBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F2N2OS/c1-11-14(15-8-16(15)22-10-12-2-3-12)9-17(25-11)18(24)23-13-4-6-19(20,21)7-5-13/h9,12-13,15-16,22H,2-8,10H2,1H3,(H,23,24).
What are the key properties of 4-[2-(cyclopropylmethylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)-5-methylthiophene-2-carboxamide?
4-[2-(cyclopropylmethylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)-5-methylthiophene-2-carboxamide has a molecular weight of 368.49 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclopropylmethylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 118432877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).