N-[2-(5-methylfuran-2-yl)phenyl]thiomorpholine-4-carboxamide

C16H18N2O2S — CID 72875097

IUPACN-[2-(5-methylfuran-2-yl)phenyl]thiomorpholine-4-carboxamide
SMILESCc1ccc(-c2ccccc2NC(=O)N2CCSCC2)o1
InChIInChI=1S/C16H18N2O2S/c1-12-6-7-15(20-12)13-4-2-3-5-14(13)17-16(19)18-8-10-21-11-9-18/h2-7H,8-11H2,1H3,(H,17,19)
InChIKeyMHMPKBATOXDKNZ-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.84
Rot. Bonds2

About N-[2-(5-methylfuran-2-yl)phenyl]thiomorpholine-4-carboxamide

N-[2-(5-methylfuran-2-yl)phenyl]thiomorpholine-4-carboxamide (PubChem CID 72875097) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-[2-(5-methylfuran-2-yl)phenyl]thiomorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(5-methylfuran-2-yl)phenyl]thiomorpholine-4-carboxamide
PubChem CID72875097
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC NameN-[2-(5-methylfuran-2-yl)phenyl]thiomorpholine-4-carboxamide
SMILESCc1ccc(-c2ccccc2NC(=O)N2CCSCC2)o1
InChIInChI=1S/C16H18N2O2S/c1-12-6-7-15(20-12)13-4-2-3-5-14(13)17-16(19)18-8-10-21-11-9-18/h2-7H,8-11H2,1H3,(H,17,19)
InChIKeyMHMPKBATOXDKNZ-UHFFFAOYSA-N
XLogP3.84
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(5-methylfuran-2-yl)phenyl]acetamide
CID 646782
(3R)-N-[2-(5-methylfuran-2-yl)phenyl]-3-(methylsulfanylmethyl)piperidine-1-carboxamide
CID 97279295
(3S)-3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylphenyl)piperidine-1-carboxamide
CID 1457501
(1R,2S,3S,4S)-3-[[2-(5-methylfuran-2-yl)phenyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 11860862
N-[2-(5-methylfuran-2-yl)phenyl]formamide
CID 168653920
N-(2-bromophenyl)-1,3-thiazolidine-3-carboxamide
CID 3744808
5-[2-(thiomorpholine-4-carbonyl)phenyl]furan-2-carbaldehyde
CID 169333844
N-(2-methyl-1-benzofuran-5-yl)thiomorpholine-4-carboxamide
CID 72870610
5-(2-acetamidophenyl)furan-2-carboxylic acid
CID 91687919
N-(2-methylphenyl)azepane-1-carboxamide
CID 19165583
4-[1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]-N-(2-phenylphenyl)piperidine-1-carboxamide
CID 10224216
N-[3-chloro-2-(2-methoxyethoxy)phenyl]thiomorpholine-4-carboxamide
CID 56820485

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methylfuran-2-yl)phenyl]thiomorpholine-4-carboxamide?
The IUPAC name of N-[2-(5-methylfuran-2-yl)phenyl]thiomorpholine-4-carboxamide (CID 72875097) is N-[2-(5-methylfuran-2-yl)phenyl]thiomorpholine-4-carboxamide.
What is the SMILES notation for N-[2-(5-methylfuran-2-yl)phenyl]thiomorpholine-4-carboxamide?
The canonical SMILES for N-[2-(5-methylfuran-2-yl)phenyl]thiomorpholine-4-carboxamide is Cc1ccc(-c2ccccc2NC(=O)N2CCSCC2)o1.
What is the InChIKey of N-[2-(5-methylfuran-2-yl)phenyl]thiomorpholine-4-carboxamide?
The InChIKey is MHMPKBATOXDKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-12-6-7-15(20-12)13-4-2-3-5-14(13)17-16(19)18-8-10-21-11-9-18/h2-7H,8-11H2,1H3,(H,17,19).
What are the key properties of N-[2-(5-methylfuran-2-yl)phenyl]thiomorpholine-4-carboxamide?
N-[2-(5-methylfuran-2-yl)phenyl]thiomorpholine-4-carboxamide has a molecular weight of 302.40 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methylfuran-2-yl)phenyl]thiomorpholine-4-carboxamide is sourced from PubChem (CID 72875097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).