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

C16H17N3O3S — CID 119701038

IUPACN-[3-(thiophene-2-carbonylamino)phenyl]morpholine-3-carboxamide
SMILESO=C(Nc1cccc(NC(=O)C2COCCN2)c1)c1cccs1
InChIInChI=1S/C16H17N3O3S/c20-15(13-10-22-7-6-17-13)18-11-3-1-4-12(9-11)19-16(21)14-5-2-8-23-14/h1-5,8-9,13,17H,6-7,10H2,(H,18,20)(H,19,21)
InChIKeyRSQWKNWHRDPLMV-UHFFFAOYSA-N
MW331.40 g/mol
LogP1.93
Rot. Bonds4

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

N-[3-(thiophene-2-carbonylamino)phenyl]morpholine-3-carboxamide (PubChem CID 119701038) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is N-[3-(thiophene-2-carbonylamino)phenyl]morpholine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(thiophene-2-carbonylamino)phenyl]morpholine-3-carboxamide
PubChem CID119701038
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC NameN-[3-(thiophene-2-carbonylamino)phenyl]morpholine-3-carboxamide
SMILESO=C(Nc1cccc(NC(=O)C2COCCN2)c1)c1cccs1
InChIInChI=1S/C16H17N3O3S/c20-15(13-10-22-7-6-17-13)18-11-3-1-4-12(9-11)19-16(21)14-5-2-8-23-14/h1-5,8-9,13,17H,6-7,10H2,(H,18,20)(H,19,21)
InChIKeyRSQWKNWHRDPLMV-UHFFFAOYSA-N
XLogP1.93
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(thiophene-2-carbonylamino)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119759053
N-[3-(cyclopropanecarbonylamino)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119710451
N-(3-methylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119670415
N-(3-carbamoylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119687667
(3S)-N-[3-(trifluoromethyl)phenyl]morpholine-3-carboxamide
CID 129372263
N-[3-[[3-(trifluoromethyl)benzoyl]amino]phenyl]morpholine-3-carboxamide;hydrochloride
CID 119775977
(2S,4S)-2-methyl-N-[3-(thiophene-2-carbonylamino)phenyl]piperidine-4-carboxamide
CID 120619627
N-[3-(oxan-3-ylamino)phenyl]thiophene-2-carboxamide
CID 75471137
N-(3-phenoxyphenyl)morpholine-3-carboxamide
CID 75422303
N-[3-(cyclobutanecarbonylamino)phenyl]thiophene-2-carboxamide
CID 31518537
N-[4-(thiophene-2-carbonylamino)phenyl]piperidine-2-carboxamide
CID 119309311
N-[3-(benzylsulfinylmethyl)phenyl]morpholine-3-carboxamide
CID 119789843

Frequently Asked Questions

What is the IUPAC name of N-[3-(thiophene-2-carbonylamino)phenyl]morpholine-3-carboxamide?
The IUPAC name of N-[3-(thiophene-2-carbonylamino)phenyl]morpholine-3-carboxamide (CID 119701038) is N-[3-(thiophene-2-carbonylamino)phenyl]morpholine-3-carboxamide.
What is the SMILES notation for N-[3-(thiophene-2-carbonylamino)phenyl]morpholine-3-carboxamide?
The canonical SMILES for N-[3-(thiophene-2-carbonylamino)phenyl]morpholine-3-carboxamide is O=C(Nc1cccc(NC(=O)C2COCCN2)c1)c1cccs1.
What is the InChIKey of N-[3-(thiophene-2-carbonylamino)phenyl]morpholine-3-carboxamide?
The InChIKey is RSQWKNWHRDPLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c20-15(13-10-22-7-6-17-13)18-11-3-1-4-12(9-11)19-16(21)14-5-2-8-23-14/h1-5,8-9,13,17H,6-7,10H2,(H,18,20)(H,19,21).
What are the key properties of N-[3-(thiophene-2-carbonylamino)phenyl]morpholine-3-carboxamide?
N-[3-(thiophene-2-carbonylamino)phenyl]morpholine-3-carboxamide has a molecular weight of 331.40 g/mol, XLogP of 1.93, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(thiophene-2-carbonylamino)phenyl]morpholine-3-carboxamide is sourced from PubChem (CID 119701038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).