N-[4-(thiophene-2-carbonylamino)phenyl]morpholine-3-carboxamide;hydrochloride

C16H18ClN3O3S — CID 119759053

IUPACN-[4-(thiophene-2-carbonylamino)phenyl]morpholine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(NC(=O)C2COCCN2)cc1)c1cccs1
InChIInChI=1S/C16H17N3O3S.ClH/c20-15(13-10-22-8-7-17-13)18-11-3-5-12(6-4-11)19-16(21)14-2-1-9-23-14;/h1-6,9,13,17H,7-8,10H2,(H,18,20)(H,19,21);1H
InChIKeySQNIYHXHFLFDLW-UHFFFAOYSA-N
MW367.86 g/mol
LogP2.35
Rot. Bonds4

About N-[4-(thiophene-2-carbonylamino)phenyl]morpholine-3-carboxamide;hydrochloride

N-[4-(thiophene-2-carbonylamino)phenyl]morpholine-3-carboxamide;hydrochloride (PubChem CID 119759053) has the molecular formula C16H18ClN3O3S and a molecular weight of 367.86 g/mol. Its IUPAC name is N-[4-(thiophene-2-carbonylamino)phenyl]morpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(thiophene-2-carbonylamino)phenyl]morpholine-3-carboxamide;hydrochloride
PubChem CID119759053
Molecular FormulaC16H18ClN3O3S
Molecular Weight367.86 g/mol
Exact Mass367.08
IUPAC NameN-[4-(thiophene-2-carbonylamino)phenyl]morpholine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(NC(=O)C2COCCN2)cc1)c1cccs1
InChIInChI=1S/C16H17N3O3S.ClH/c20-15(13-10-22-8-7-17-13)18-11-3-5-12(6-4-11)19-16(21)14-2-1-9-23-14;/h1-6,9,13,17H,7-8,10H2,(H,18,20)(H,19,21);1H
InChIKeySQNIYHXHFLFDLW-UHFFFAOYSA-N
XLogP2.35
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.86
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(thiophene-2-carbonylamino)phenyl]morpholine-3-carboxamide
CID 119701038
N-[4-(thiophene-2-carbonylamino)phenyl]piperidine-2-carboxamide
CID 119309311
N-(4-phenoxyphenyl)morpholine-3-carboxamide;hydrochloride
CID 75422319
N-[4-(2-methylpropanoylamino)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119685241
N-[4-(cyclopropylcarbamoylamino)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119702443
N-[4-(2-methylpropyl)phenyl]morpholine-3-carboxamide
CID 115177537
N-(3,4-dimethylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119670622
N-[4-(propylsulfonylamino)phenyl]morpholine-3-carboxamide
CID 119754209
N-(3-methylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119670415
N-[3-(cyclopropanecarbonylamino)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119710451
N-(3-carbamoylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119687667
N-(2-tert-butylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119399897

Frequently Asked Questions

What is the IUPAC name of N-[4-(thiophene-2-carbonylamino)phenyl]morpholine-3-carboxamide;hydrochloride?
The IUPAC name of N-[4-(thiophene-2-carbonylamino)phenyl]morpholine-3-carboxamide;hydrochloride (CID 119759053) is N-[4-(thiophene-2-carbonylamino)phenyl]morpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-(thiophene-2-carbonylamino)phenyl]morpholine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[4-(thiophene-2-carbonylamino)phenyl]morpholine-3-carboxamide;hydrochloride is Cl.O=C(Nc1ccc(NC(=O)C2COCCN2)cc1)c1cccs1.
What is the InChIKey of N-[4-(thiophene-2-carbonylamino)phenyl]morpholine-3-carboxamide;hydrochloride?
The InChIKey is SQNIYHXHFLFDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S.ClH/c20-15(13-10-22-8-7-17-13)18-11-3-5-12(6-4-11)19-16(21)14-2-1-9-23-14;/h1-6,9,13,17H,7-8,10H2,(H,18,20)(H,19,21);1H.
What are the key properties of N-[4-(thiophene-2-carbonylamino)phenyl]morpholine-3-carboxamide;hydrochloride?
N-[4-(thiophene-2-carbonylamino)phenyl]morpholine-3-carboxamide;hydrochloride has a molecular weight of 367.86 g/mol, XLogP of 2.35, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(thiophene-2-carbonylamino)phenyl]morpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119759053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).