5-chloro-N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]thiophene-2-carboxamide

C14H21ClN2O3S — CID 91788646

IUPAC5-chloro-N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]thiophene-2-carboxamide
SMILESCN(C)CCO[C@@H]1COCC[C@H]1NC(=O)c1ccc(Cl)s1
InChIInChI=1S/C14H21ClN2O3S/c1-17(2)6-8-20-11-9-19-7-5-10(11)16-14(18)12-3-4-13(15)21-12/h3-4,10-11H,5-9H2,1-2H3,(H,16,18)/t10-,11-/m1/s1
InChIKeyQEYKBDYVMAYUIO-GHMZBOCLSA-N
MW332.85 g/mol
LogP1.87
Rot. Bonds6

About 5-chloro-N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]thiophene-2-carboxamide

5-chloro-N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]thiophene-2-carboxamide (PubChem CID 91788646) has the molecular formula C14H21ClN2O3S and a molecular weight of 332.85 g/mol. Its IUPAC name is 5-chloro-N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]thiophene-2-carboxamide
PubChem CID91788646
Molecular FormulaC14H21ClN2O3S
Molecular Weight332.85 g/mol
Exact Mass332.10
IUPAC Name5-chloro-N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]thiophene-2-carboxamide
SMILESCN(C)CCO[C@@H]1COCC[C@H]1NC(=O)c1ccc(Cl)s1
InChIInChI=1S/C14H21ClN2O3S/c1-17(2)6-8-20-11-9-19-7-5-10(11)16-14(18)12-3-4-13(15)21-12/h3-4,10-11H,5-9H2,1-2H3,(H,16,18)/t10-,11-/m1/s1
InChIKeyQEYKBDYVMAYUIO-GHMZBOCLSA-N
XLogP1.87
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chloro-2,6-difluorophenyl)-N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]acetamide
CID 91784481
N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 91767405
N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-3-fluoropyridine-4-carboxamide
CID 91761132
5-chloro-N-[(3S,4R)-4-methoxyoxolan-3-yl]thiophene-2-carboxamide
CID 122564714
N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-3-thiophen-3-ylpropanamide
CID 91790379
N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]imidazo[1,2-a]pyridine-6-carboxamide
CID 91783077
N-[(3R,4S)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-6-methoxy-2,3-dihydro-1H-indene-5-carboxamide
CID 164629006
N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-2-methyl-2-(4-methylphenoxy)propanamide
CID 91786617
N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-5,6,7,8-tetrahydroquinoline-3-carboxamide
CID 91786606
N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-2-(2H-indazol-3-yl)acetamide
CID 91790527
N-[(3S,4R)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]furan-2-carboxamide
CID 133267426
N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 91790068

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]thiophene-2-carboxamide (CID 91788646) is 5-chloro-N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]thiophene-2-carboxamide is CN(C)CCO[C@@H]1COCC[C@H]1NC(=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]thiophene-2-carboxamide?
The InChIKey is QEYKBDYVMAYUIO-GHMZBOCLSA-N. The full InChI is InChI=1S/C14H21ClN2O3S/c1-17(2)6-8-20-11-9-19-7-5-10(11)16-14(18)12-3-4-13(15)21-12/h3-4,10-11H,5-9H2,1-2H3,(H,16,18)/t10-,11-/m1/s1.
What are the key properties of 5-chloro-N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]thiophene-2-carboxamide?
5-chloro-N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]thiophene-2-carboxamide has a molecular weight of 332.85 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 91788646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).