5-[(1R,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)-2-methylthiophene-3-carboxamide

C19H26F2N2OS — CID 118433236

IUPAC5-[(1R,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)-2-methylthiophene-3-carboxamide
SMILESCc1sc([C@@H]2C[C@H]2NCC2CC2)cc1C(=O)NC1CCC(F)(F)CC1
InChIInChI=1S/C19H26F2N2OS/c1-11-14(18(24)23-13-4-6-19(20,21)7-5-13)9-17(25-11)15-8-16(15)22-10-12-2-3-12/h9,12-13,15-16,22H,2-8,10H2,1H3,(H,23,24)/t15-,16-/m1/s1
InChIKeyHFYHFQRFNIMQNX-HZPDHXFCSA-N
MW368.49 g/mol
LogP4.22
Rot. Bonds6

About 5-[(1R,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)-2-methylthiophene-3-carboxamide

5-[(1R,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)-2-methylthiophene-3-carboxamide (PubChem CID 118433236) has the molecular formula C19H26F2N2OS and a molecular weight of 368.49 g/mol. Its IUPAC name is 5-[(1R,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)-2-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name5-[(1R,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)-2-methylthiophene-3-carboxamide
PubChem CID118433236
Molecular FormulaC19H26F2N2OS
Molecular Weight368.49 g/mol
Exact Mass368.17
IUPAC Name5-[(1R,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)-2-methylthiophene-3-carboxamide
SMILESCc1sc([C@@H]2C[C@H]2NCC2CC2)cc1C(=O)NC1CCC(F)(F)CC1
InChIInChI=1S/C19H26F2N2OS/c1-11-14(18(24)23-13-4-6-19(20,21)7-5-13)9-17(25-11)15-8-16(15)22-10-12-2-3-12/h9,12-13,15-16,22H,2-8,10H2,1H3,(H,23,24)/t15-,16-/m1/s1
InChIKeyHFYHFQRFNIMQNX-HZPDHXFCSA-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 5-[(1R,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)-2-methylthiophene-3-carboxamide with MolForge

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Related Compounds

Thiophene derivative, 3d
CID 15984018
Thiophene derivative, 3b
CID 25023796
Thiophene derivative, 3e
CID 25023798
N-(cyclohexylmethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
CID 25023800
2,2,2-trifluoro-1-[5-({[(1R)-1-phenylethyl]amino}methyl)thiophen-2-yl]ethan-1-one
CID 25023812
N-(cyclohexylmethyl)-4-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
CID 25023817
N-[2-(4-fluorophenyl)ethyl]-5-methyl-2-thiophenecarboxamide
CID 1247475
N-benzyl-5-ethyl-4-methylthiophene-2-carboxamide
CID 2545956
5-methyl-N-(4-methylcyclohexyl)thiophene-2-carboxamide
CID 18157799
N-(4-methylcyclohexyl)-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide
CID 24979973
3-methyl-N-(2-methylcyclohexyl)thiophene-2-carboxamide
CID 25162656
N-isopropyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 687094

Frequently Asked Questions

What is the IUPAC name of 5-[(1R,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)-2-methylthiophene-3-carboxamide?
The IUPAC name of 5-[(1R,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)-2-methylthiophene-3-carboxamide (CID 118433236) is 5-[(1R,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)-2-methylthiophene-3-carboxamide.
What is the SMILES notation for 5-[(1R,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)-2-methylthiophene-3-carboxamide?
The canonical SMILES for 5-[(1R,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)-2-methylthiophene-3-carboxamide is Cc1sc([C@@H]2C[C@H]2NCC2CC2)cc1C(=O)NC1CCC(F)(F)CC1.
What is the InChIKey of 5-[(1R,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)-2-methylthiophene-3-carboxamide?
The InChIKey is HFYHFQRFNIMQNX-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H26F2N2OS/c1-11-14(18(24)23-13-4-6-19(20,21)7-5-13)9-17(25-11)15-8-16(15)22-10-12-2-3-12/h9,12-13,15-16,22H,2-8,10H2,1H3,(H,23,24)/t15-,16-/m1/s1.
What are the key properties of 5-[(1R,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)-2-methylthiophene-3-carboxamide?
5-[(1R,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)-2-methylthiophene-3-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 5-[(1R,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)-2-methylthiophene-3-carboxamide is sourced from PubChem (CID 118433236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).