(2R,5R)-5-methyl-N-(2-methyl-5-phenylthiophen-3-yl)-N-propan-2-yloxane-2-carboxamide

C21H27NO2S — CID 59752353

IUPAC(2R,5R)-5-methyl-N-(2-methyl-5-phenylthiophen-3-yl)-N-propan-2-yloxane-2-carboxamide
SMILESCc1sc(-c2ccccc2)cc1N(C(=O)[C@H]1CC[C@@H](C)CO1)C(C)C
InChIInChI=1S/C21H27NO2S/c1-14(2)22(21(23)19-11-10-15(3)13-24-19)18-12-20(25-16(18)4)17-8-6-5-7-9-17/h5-9,12,14-15,19H,10-11,13H2,1-4H3/t15-,19-/m1/s1
InChIKeyAOBCBZWNEAURPQ-DNVCBOLYSA-N
MW357.52 g/mol
LogP5.28
Rot. Bonds4

About (2R,5R)-5-methyl-N-(2-methyl-5-phenylthiophen-3-yl)-N-propan-2-yloxane-2-carboxamide

(2R,5R)-5-methyl-N-(2-methyl-5-phenylthiophen-3-yl)-N-propan-2-yloxane-2-carboxamide (PubChem CID 59752353) has the molecular formula C21H27NO2S and a molecular weight of 357.52 g/mol. Its IUPAC name is (2R,5R)-5-methyl-N-(2-methyl-5-phenylthiophen-3-yl)-N-propan-2-yloxane-2-carboxamide.

Molecular Properties

Compound Name(2R,5R)-5-methyl-N-(2-methyl-5-phenylthiophen-3-yl)-N-propan-2-yloxane-2-carboxamide
PubChem CID59752353
Molecular FormulaC21H27NO2S
Molecular Weight357.52 g/mol
Exact Mass357.18
IUPAC Name(2R,5R)-5-methyl-N-(2-methyl-5-phenylthiophen-3-yl)-N-propan-2-yloxane-2-carboxamide
SMILESCc1sc(-c2ccccc2)cc1N(C(=O)[C@H]1CC[C@@H](C)CO1)C(C)C
InChIInChI=1S/C21H27NO2S/c1-14(2)22(21(23)19-11-10-15(3)13-24-19)18-12-20(25-16(18)4)17-8-6-5-7-9-17/h5-9,12,14-15,19H,10-11,13H2,1-4H3/t15-,19-/m1/s1
InChIKeyAOBCBZWNEAURPQ-DNVCBOLYSA-N
XLogP5.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.52
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2R,5R)-5-methyl-N-(2-methyl-5-phenylthiophen-3-yl)-N-propan-2-yloxane-2-carboxamide with MolForge

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Related Compounds

2-methoxy-N-[3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide
CID 13653715
2-methoxy-N-[(3S,4R)-3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide
CID 13653716
2-[3-(5-Acetylthiophen-2-yl)propyl]-3-(4-hexylphenyl)-1,3-oxazolidin-4-one
CID 57586894
(2R,5S)-5-methyl-N-(2-methyl-5-phenylthiophen-3-yl)-N-propan-2-yloxane-2-carboxamide
CID 59752368
5-methyl-N-(2-methyl-5-phenylthiophen-3-yl)-N-propan-2-yl-3,6-dihydro-2H-pyran-2-carboxamide
CID 59752370
N-benzyl-2-methoxy-N-(5-phenylthiophen-3-yl)acetamide
CID 67299446
methyl 3-[[(2R,5R)-5-methyloxane-2-carbonyl]-propan-2-ylamino]-5-phenylthiophene-2-carboxylate
CID 68424199
Methyl 3-[(5-methyloxane-2-carbonyl)-propan-2-ylamino]-5-phenylthiophene-2-carboxylate
CID 68424201
methyl 3-[[(2R,5S)-5-methyloxane-2-carbonyl]-propan-2-ylamino]-5-phenylthiophene-2-carboxylate
CID 68424879
4-[(5-Tert-butylthiophen-2-yl)methyl]-2-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]morpholin-3-one
CID 69548998
2-methoxy-N-[(3R,4S)-3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide
CID 70455308
4-methyl-N-(2-methyl-5-phenylthiophen-3-yl)-N-propan-2-ylcyclohexane-1-carboxamide
CID 70834124

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-5-methyl-N-(2-methyl-5-phenylthiophen-3-yl)-N-propan-2-yloxane-2-carboxamide?
The IUPAC name of (2R,5R)-5-methyl-N-(2-methyl-5-phenylthiophen-3-yl)-N-propan-2-yloxane-2-carboxamide (CID 59752353) is (2R,5R)-5-methyl-N-(2-methyl-5-phenylthiophen-3-yl)-N-propan-2-yloxane-2-carboxamide.
What is the SMILES notation for (2R,5R)-5-methyl-N-(2-methyl-5-phenylthiophen-3-yl)-N-propan-2-yloxane-2-carboxamide?
The canonical SMILES for (2R,5R)-5-methyl-N-(2-methyl-5-phenylthiophen-3-yl)-N-propan-2-yloxane-2-carboxamide is Cc1sc(-c2ccccc2)cc1N(C(=O)[C@H]1CC[C@@H](C)CO1)C(C)C.
What is the InChIKey of (2R,5R)-5-methyl-N-(2-methyl-5-phenylthiophen-3-yl)-N-propan-2-yloxane-2-carboxamide?
The InChIKey is AOBCBZWNEAURPQ-DNVCBOLYSA-N. The full InChI is InChI=1S/C21H27NO2S/c1-14(2)22(21(23)19-11-10-15(3)13-24-19)18-12-20(25-16(18)4)17-8-6-5-7-9-17/h5-9,12,14-15,19H,10-11,13H2,1-4H3/t15-,19-/m1/s1.
What are the key properties of (2R,5R)-5-methyl-N-(2-methyl-5-phenylthiophen-3-yl)-N-propan-2-yloxane-2-carboxamide?
(2R,5R)-5-methyl-N-(2-methyl-5-phenylthiophen-3-yl)-N-propan-2-yloxane-2-carboxamide has a molecular weight of 357.52 g/mol, XLogP of 5.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-5-methyl-N-(2-methyl-5-phenylthiophen-3-yl)-N-propan-2-yloxane-2-carboxamide is sourced from PubChem (CID 59752353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).