N-[(2-amino-3,5-dibromophenyl)methyl]-N-(4-hydroxycyclohexyl)thiophene-2-carboxamide

C18H20Br2N2O2S — CID 165341857

IUPACN-[(2-amino-3,5-dibromophenyl)methyl]-N-(4-hydroxycyclohexyl)thiophene-2-carboxamide
SMILESNc1c(Br)cc(Br)cc1CN(C(=O)c1cccs1)C1CCC(O)CC1
InChIInChI=1S/C18H20Br2N2O2S/c19-12-8-11(17(21)15(20)9-12)10-22(13-3-5-14(23)6-4-13)18(24)16-2-1-7-25-16/h1-2,7-9,13-14,23H,3-6,10,21H2
InChIKeyXYEBWVJLHBFDRM-UHFFFAOYSA-N
MW488.25 g/mol
LogP4.80
Rot. Bonds4

About N-[(2-amino-3,5-dibromophenyl)methyl]-N-(4-hydroxycyclohexyl)thiophene-2-carboxamide

N-[(2-amino-3,5-dibromophenyl)methyl]-N-(4-hydroxycyclohexyl)thiophene-2-carboxamide (PubChem CID 165341857) has the molecular formula C18H20Br2N2O2S and a molecular weight of 488.25 g/mol. Its IUPAC name is N-[(2-amino-3,5-dibromophenyl)methyl]-N-(4-hydroxycyclohexyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2-amino-3,5-dibromophenyl)methyl]-N-(4-hydroxycyclohexyl)thiophene-2-carboxamide
PubChem CID165341857
Molecular FormulaC18H20Br2N2O2S
Molecular Weight488.25 g/mol
Exact Mass485.96
IUPAC NameN-[(2-amino-3,5-dibromophenyl)methyl]-N-(4-hydroxycyclohexyl)thiophene-2-carboxamide
SMILESNc1c(Br)cc(Br)cc1CN(C(=O)c1cccs1)C1CCC(O)CC1
InChIInChI=1S/C18H20Br2N2O2S/c19-12-8-11(17(21)15(20)9-12)10-22(13-3-5-14(23)6-4-13)18(24)16-2-1-7-25-16/h1-2,7-9,13-14,23H,3-6,10,21H2
InChIKeyXYEBWVJLHBFDRM-UHFFFAOYSA-N
XLogP4.80
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.25
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-N-(1H-indol-4-ylmethyl)thiophene-2-carboxamide
CID 39335113
N-cyclopropyl-N-(3-methylbutyl)thiophene-2-carboxamide
CID 60733247
N-cyclohexyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]thiophene-2-carboxamide
CID 1169748
N-[(2-aminophenyl)methyl]-5-bromo-N-cyclopropylthiophene-2-carboxamide
CID 43460891
3-amino-4-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide
CID 61107791
3-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide
CID 51889465
N-cyclopentyl-N-(furan-2-ylmethyl)thiophene-2-carboxamide
CID 60738271
N-[[5-(6-amino-3-pyridinyl)-2-ethoxyphenyl]methyl]-N-[4-(methylamino)cyclohexyl]thiophene-2-carboxamide
CID 143670009
N-[(2-methoxy-5-pyridin-2-ylphenyl)methyl]-N-[4-(methylamino)cyclohexyl]thiophene-2-carboxamide;dihydrochloride
CID 143670287
N-[(3-bromophenyl)methyl]-N-cyclopropyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 55583076
methyl 2-[[cyclopropyl(thiophene-2-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 810949
methyl 2-[cyclopentyl(thiophene-2-carbonyl)amino]acetate
CID 80709531

Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-3,5-dibromophenyl)methyl]-N-(4-hydroxycyclohexyl)thiophene-2-carboxamide?
The IUPAC name of N-[(2-amino-3,5-dibromophenyl)methyl]-N-(4-hydroxycyclohexyl)thiophene-2-carboxamide (CID 165341857) is N-[(2-amino-3,5-dibromophenyl)methyl]-N-(4-hydroxycyclohexyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[(2-amino-3,5-dibromophenyl)methyl]-N-(4-hydroxycyclohexyl)thiophene-2-carboxamide?
The canonical SMILES for N-[(2-amino-3,5-dibromophenyl)methyl]-N-(4-hydroxycyclohexyl)thiophene-2-carboxamide is Nc1c(Br)cc(Br)cc1CN(C(=O)c1cccs1)C1CCC(O)CC1.
What is the InChIKey of N-[(2-amino-3,5-dibromophenyl)methyl]-N-(4-hydroxycyclohexyl)thiophene-2-carboxamide?
The InChIKey is XYEBWVJLHBFDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Br2N2O2S/c19-12-8-11(17(21)15(20)9-12)10-22(13-3-5-14(23)6-4-13)18(24)16-2-1-7-25-16/h1-2,7-9,13-14,23H,3-6,10,21H2.
What are the key properties of N-[(2-amino-3,5-dibromophenyl)methyl]-N-(4-hydroxycyclohexyl)thiophene-2-carboxamide?
N-[(2-amino-3,5-dibromophenyl)methyl]-N-(4-hydroxycyclohexyl)thiophene-2-carboxamide has a molecular weight of 488.25 g/mol, XLogP of 4.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-amino-3,5-dibromophenyl)methyl]-N-(4-hydroxycyclohexyl)thiophene-2-carboxamide is sourced from PubChem (CID 165341857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).