N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methoxyphenyl]thiophene-2-carboxamide

C18H22N2O3S — CID 51708860

IUPACN-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methoxyphenyl]thiophene-2-carboxamide
SMILESCOc1cc(NC(=O)c2cccs2)ccc1N1C[C@@H](C)O[C@H](C)C1
InChIInChI=1S/C18H22N2O3S/c1-12-10-20(11-13(2)23-12)15-7-6-14(9-16(15)22-3)19-18(21)17-5-4-8-24-17/h4-9,12-13H,10-11H2,1-3H3,(H,19,21)/t12-,13-/m1/s1
InChIKeyMQRDHXXEKWMIOH-CHWSQXEVSA-N
MW346.45 g/mol
LogP3.62
Rot. Bonds4

About N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methoxyphenyl]thiophene-2-carboxamide

N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methoxyphenyl]thiophene-2-carboxamide (PubChem CID 51708860) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methoxyphenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methoxyphenyl]thiophene-2-carboxamide
PubChem CID51708860
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methoxyphenyl]thiophene-2-carboxamide
SMILESCOc1cc(NC(=O)c2cccs2)ccc1N1C[C@@H](C)O[C@H](C)C1
InChIInChI=1S/C18H22N2O3S/c1-12-10-20(11-13(2)23-12)15-7-6-14(9-16(15)22-3)19-18(21)17-5-4-8-24-17/h4-9,12-13H,10-11H2,1-3H3,(H,19,21)/t12-,13-/m1/s1
InChIKeyMQRDHXXEKWMIOH-CHWSQXEVSA-N
XLogP3.62
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-chloro-3-methoxyphenyl)thiophene-2-carboxamide
CID 107271770
N-[4-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 47091649
N-(3-chloro-4-methoxyphenyl)thiophene-2-carboxamide
CID 878235
N-[4-[(2-bromobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide
CID 1258183
N-[4-(3-aminopropanoylamino)-2-methoxyphenyl]thiophene-2-carboxamide
CID 92944479
N-[4-[(3,4-dichlorobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide
CID 3161499
N-(3,4-dimethoxyphenyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
CID 90511138
N-[2-methoxy-4-[(4-propan-2-yloxybenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 3161512
N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-4-methoxy-3-nitrobenzamide
CID 71940669
N-[3-chloro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]-3,4,5-trimethoxybenzamide
CID 4317842
2-morpholin-4-yl-5-(thiophene-2-carbonylamino)benzoic acid
CID 783853
N-[2-methoxy-4-(naphthalene-2-carbonylcarbamothioylamino)phenyl]thiophene-2-carboxamide
CID 17104933

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methoxyphenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methoxyphenyl]thiophene-2-carboxamide (CID 51708860) is N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methoxyphenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methoxyphenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methoxyphenyl]thiophene-2-carboxamide is COc1cc(NC(=O)c2cccs2)ccc1N1C[C@@H](C)O[C@H](C)C1.
What is the InChIKey of N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methoxyphenyl]thiophene-2-carboxamide?
The InChIKey is MQRDHXXEKWMIOH-CHWSQXEVSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-12-10-20(11-13(2)23-12)15-7-6-14(9-16(15)22-3)19-18(21)17-5-4-8-24-17/h4-9,12-13H,10-11H2,1-3H3,(H,19,21)/t12-,13-/m1/s1.
What are the key properties of N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methoxyphenyl]thiophene-2-carboxamide?
N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methoxyphenyl]thiophene-2-carboxamide has a molecular weight of 346.45 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methoxyphenyl]thiophene-2-carboxamide is sourced from PubChem (CID 51708860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).