N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]morpholine-3-carboxamide

C15H18N4O2S — CID 119698985

IUPACN-[4-(1-methylimidazol-2-yl)sulfanylphenyl]morpholine-3-carboxamide
SMILESCn1ccnc1Sc1ccc(NC(=O)C2COCCN2)cc1
InChIInChI=1S/C15H18N4O2S/c1-19-8-6-17-15(19)22-12-4-2-11(3-5-12)18-14(20)13-10-21-9-7-16-13/h2-6,8,13,16H,7,9-10H2,1H3,(H,18,20)
InChIKeyKWAACQBWLLEHOY-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.50
Rot. Bonds4

About N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]morpholine-3-carboxamide

N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]morpholine-3-carboxamide (PubChem CID 119698985) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]morpholine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(1-methylimidazol-2-yl)sulfanylphenyl]morpholine-3-carboxamide
PubChem CID119698985
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC NameN-[4-(1-methylimidazol-2-yl)sulfanylphenyl]morpholine-3-carboxamide
SMILESCn1ccnc1Sc1ccc(NC(=O)C2COCCN2)cc1
InChIInChI=1S/C15H18N4O2S/c1-19-8-6-17-15(19)22-12-4-2-11(3-5-12)18-14(20)13-10-21-9-7-16-13/h2-6,8,13,16H,7,9-10H2,1H3,(H,18,20)
InChIKeyKWAACQBWLLEHOY-UHFFFAOYSA-N
XLogP1.50
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]morpholine-3-carboxamide;hydrochloride
CID 119698805
(2R,3S)-2-methyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]morpholine-3-carboxamide
CID 120920606
N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]adamantane-2-carboxamide
CID 55498030
N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]butanamide
CID 47138421
3-amino-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119698990
N-[4-(2-methylpropanoylamino)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119685241
(3S)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]morpholine-3-carboxamide
CID 166299163
N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119704465
4-(4-fluorophenyl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]oxane-4-carboxamide
CID 75417143
N-[4-(cyclopropylcarbamoylamino)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119702443
N-(6-bromo-3-pyridinyl)morpholine-3-carboxamide
CID 103813891
2-amino-2-methyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]propanamide;hydrochloride
CID 119276286

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]morpholine-3-carboxamide?
The IUPAC name of N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]morpholine-3-carboxamide (CID 119698985) is N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]morpholine-3-carboxamide.
What is the SMILES notation for N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]morpholine-3-carboxamide?
The canonical SMILES for N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]morpholine-3-carboxamide is Cn1ccnc1Sc1ccc(NC(=O)C2COCCN2)cc1.
What is the InChIKey of N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]morpholine-3-carboxamide?
The InChIKey is KWAACQBWLLEHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-19-8-6-17-15(19)22-12-4-2-11(3-5-12)18-14(20)13-10-21-9-7-16-13/h2-6,8,13,16H,7,9-10H2,1H3,(H,18,20).
What are the key properties of N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]morpholine-3-carboxamide?
N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]morpholine-3-carboxamide has a molecular weight of 318.40 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]morpholine-3-carboxamide is sourced from PubChem (CID 119698985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).