N-[1-oxo-1-[4-(2-thiomorpholin-4-ylethyl)anilino]propan-2-yl]furan-2-carboxamide

C20H25N3O3S — CID 49058408

IUPACN-[1-oxo-1-[4-(2-thiomorpholin-4-ylethyl)anilino]propan-2-yl]furan-2-carboxamide
SMILESCC(NC(=O)c1ccco1)C(=O)Nc1ccc(CCN2CCSCC2)cc1
InChIInChI=1S/C20H25N3O3S/c1-15(21-20(25)18-3-2-12-26-18)19(24)22-17-6-4-16(5-7-17)8-9-23-10-13-27-14-11-23/h2-7,12,15H,8-11,13-14H2,1H3,(H,21,25)(H,22,24)
InChIKeyUYPBROXPCGQUDB-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.63
Rot. Bonds7

About N-[1-oxo-1-[4-(2-thiomorpholin-4-ylethyl)anilino]propan-2-yl]furan-2-carboxamide

N-[1-oxo-1-[4-(2-thiomorpholin-4-ylethyl)anilino]propan-2-yl]furan-2-carboxamide (PubChem CID 49058408) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is N-[1-oxo-1-[4-(2-thiomorpholin-4-ylethyl)anilino]propan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-oxo-1-[4-(2-thiomorpholin-4-ylethyl)anilino]propan-2-yl]furan-2-carboxamide
PubChem CID49058408
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC NameN-[1-oxo-1-[4-(2-thiomorpholin-4-ylethyl)anilino]propan-2-yl]furan-2-carboxamide
SMILESCC(NC(=O)c1ccco1)C(=O)Nc1ccc(CCN2CCSCC2)cc1
InChIInChI=1S/C20H25N3O3S/c1-15(21-20(25)18-3-2-12-26-18)19(24)22-17-6-4-16(5-7-17)8-9-23-10-13-27-14-11-23/h2-7,12,15H,8-11,13-14H2,1H3,(H,21,25)(H,22,24)
InChIKeyUYPBROXPCGQUDB-UHFFFAOYSA-N
XLogP2.63
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 2534154
N-[(2R)-1-anilino-1-oxopropan-2-yl]furan-2-carboxamide
CID 42561606
3-amino-2-methyl-N-[4-(2-thiomorpholin-4-ylethyl)phenyl]butanamide;dihydrochloride
CID 120503508
N-(2-methylphenyl)-2-[4-(2-thiomorpholin-4-ylethyl)anilino]propanamide
CID 48947382
N-[3-methyl-1-oxo-1-[3-(thiomorpholin-4-ylmethyl)anilino]butan-2-yl]furan-2-carboxamide
CID 49005878
N-[(2S)-1-[4-(4-benzylpiperidin-1-yl)sulfonylanilino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 26007431
1-[4-(4-methylpiperazin-1-yl)butan-2-yl]-3-[4-(2-thiomorpholin-4-ylethyl)phenyl]urea
CID 86796852
1-[(2R)-4-(4-methylpiperazin-1-yl)butan-2-yl]-3-[4-(2-thiomorpholin-4-ylethyl)phenyl]urea
CID 99785617
1-[(2R)-1-methoxypropan-2-yl]-3-[4-(2-thiomorpholin-4-ylethyl)phenyl]urea
CID 95304132
N-(furan-2-ylmethyl)-2-[[4-(2-thiomorpholin-4-ylethyl)phenyl]carbamoylamino]acetamide
CID 49119992
N-[1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]furan-2-carboxamide
CID 24635381
N-[(2S)-1-oxo-1-[4-(pyrimidin-2-ylamino)anilino]propan-2-yl]furan-2-carboxamide
CID 146098608

Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-1-[4-(2-thiomorpholin-4-ylethyl)anilino]propan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[1-oxo-1-[4-(2-thiomorpholin-4-ylethyl)anilino]propan-2-yl]furan-2-carboxamide (CID 49058408) is N-[1-oxo-1-[4-(2-thiomorpholin-4-ylethyl)anilino]propan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-oxo-1-[4-(2-thiomorpholin-4-ylethyl)anilino]propan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-oxo-1-[4-(2-thiomorpholin-4-ylethyl)anilino]propan-2-yl]furan-2-carboxamide is CC(NC(=O)c1ccco1)C(=O)Nc1ccc(CCN2CCSCC2)cc1.
What is the InChIKey of N-[1-oxo-1-[4-(2-thiomorpholin-4-ylethyl)anilino]propan-2-yl]furan-2-carboxamide?
The InChIKey is UYPBROXPCGQUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-15(21-20(25)18-3-2-12-26-18)19(24)22-17-6-4-16(5-7-17)8-9-23-10-13-27-14-11-23/h2-7,12,15H,8-11,13-14H2,1H3,(H,21,25)(H,22,24).
What are the key properties of N-[1-oxo-1-[4-(2-thiomorpholin-4-ylethyl)anilino]propan-2-yl]furan-2-carboxamide?
N-[1-oxo-1-[4-(2-thiomorpholin-4-ylethyl)anilino]propan-2-yl]furan-2-carboxamide has a molecular weight of 387.51 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-1-[4-(2-thiomorpholin-4-ylethyl)anilino]propan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 49058408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).