N-[(1S,2S)-2-hydroxycyclohexyl]-4-(2-thiophen-3-ylethylamino)benzamide

C19H24N2O2S — CID 154873730

IUPACN-[(1S,2S)-2-hydroxycyclohexyl]-4-(2-thiophen-3-ylethylamino)benzamide
SMILESO=C(N[C@H]1CCCC[C@@H]1O)c1ccc(NCCc2ccsc2)cc1
InChIInChI=1S/C19H24N2O2S/c22-18-4-2-1-3-17(18)21-19(23)15-5-7-16(8-6-15)20-11-9-14-10-12-24-13-14/h5-8,10,12-13,17-18,20,22H,1-4,9,11H2,(H,21,23)/t17-,18-/m0/s1
InChIKeyCYDJFQQVHOHKEW-ROUUACIJSA-N
MW344.48 g/mol
LogP3.44
Rot. Bonds6

About N-[(1S,2S)-2-hydroxycyclohexyl]-4-(2-thiophen-3-ylethylamino)benzamide

N-[(1S,2S)-2-hydroxycyclohexyl]-4-(2-thiophen-3-ylethylamino)benzamide (PubChem CID 154873730) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is N-[(1S,2S)-2-hydroxycyclohexyl]-4-(2-thiophen-3-ylethylamino)benzamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-hydroxycyclohexyl]-4-(2-thiophen-3-ylethylamino)benzamide
PubChem CID154873730
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC NameN-[(1S,2S)-2-hydroxycyclohexyl]-4-(2-thiophen-3-ylethylamino)benzamide
SMILESO=C(N[C@H]1CCCC[C@@H]1O)c1ccc(NCCc2ccsc2)cc1
InChIInChI=1S/C19H24N2O2S/c22-18-4-2-1-3-17(18)21-19(23)15-5-7-16(8-6-15)20-11-9-14-10-12-24-13-14/h5-8,10,12-13,17-18,20,22H,1-4,9,11H2,(H,21,23)/t17-,18-/m0/s1
InChIKeyCYDJFQQVHOHKEW-ROUUACIJSA-N
XLogP3.44
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxycyclohexyl)-2-thiophen-3-ylacetamide
CID 62359044
N-cyclopropyl-4-(thiophen-3-ylmethylamino)benzamide
CID 43687516
N-(2-hydroxycyclohexyl)-4-(methylamino)benzamide
CID 62360968
4-(ethylamino)-N-(2-thiophen-3-ylethyl)benzamide
CID 62173994
4-acetamido-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 104927556
4-(carbamoylamino)-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 104927853
4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 40617766
N-(2-hydroxycyclohexyl)-4-iodobenzamide
CID 62365415
4-bromo-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 27109566
4-bromo-N-(2-hydroxycyclohexyl)benzamide
CID 3294155
2-(2-thiophen-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 64816532
2-hydroxy-N-(2-thiophen-3-ylethyl)cyclopentane-1-carboxamide
CID 110015235

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-4-(2-thiophen-3-ylethylamino)benzamide?
The IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-4-(2-thiophen-3-ylethylamino)benzamide (CID 154873730) is N-[(1S,2S)-2-hydroxycyclohexyl]-4-(2-thiophen-3-ylethylamino)benzamide.
What is the SMILES notation for N-[(1S,2S)-2-hydroxycyclohexyl]-4-(2-thiophen-3-ylethylamino)benzamide?
The canonical SMILES for N-[(1S,2S)-2-hydroxycyclohexyl]-4-(2-thiophen-3-ylethylamino)benzamide is O=C(N[C@H]1CCCC[C@@H]1O)c1ccc(NCCc2ccsc2)cc1.
What is the InChIKey of N-[(1S,2S)-2-hydroxycyclohexyl]-4-(2-thiophen-3-ylethylamino)benzamide?
The InChIKey is CYDJFQQVHOHKEW-ROUUACIJSA-N. The full InChI is InChI=1S/C19H24N2O2S/c22-18-4-2-1-3-17(18)21-19(23)15-5-7-16(8-6-15)20-11-9-14-10-12-24-13-14/h5-8,10,12-13,17-18,20,22H,1-4,9,11H2,(H,21,23)/t17-,18-/m0/s1.
What are the key properties of N-[(1S,2S)-2-hydroxycyclohexyl]-4-(2-thiophen-3-ylethylamino)benzamide?
N-[(1S,2S)-2-hydroxycyclohexyl]-4-(2-thiophen-3-ylethylamino)benzamide has a molecular weight of 344.48 g/mol, XLogP of 3.44, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-hydroxycyclohexyl]-4-(2-thiophen-3-ylethylamino)benzamide is sourced from PubChem (CID 154873730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).