N-[5-chloro-2-[[(2S)-2-methylsulfanylpropanoyl]amino]phenyl]furan-2-carboxamide

C15H15ClN2O3S — CID 94660299

IUPACN-[5-chloro-2-[[(2S)-2-methylsulfanylpropanoyl]amino]phenyl]furan-2-carboxamide
SMILESCS[C@@H](C)C(=O)Nc1ccc(Cl)cc1NC(=O)c1ccco1
InChIInChI=1S/C15H15ClN2O3S/c1-9(22-2)14(19)17-11-6-5-10(16)8-12(11)18-15(20)13-4-3-7-21-13/h3-9H,1-2H3,(H,17,19)(H,18,20)/t9-/m0/s1
InChIKeyJWGXUVXIAKQEEK-VIFPVBQESA-N
MW338.82 g/mol
LogP3.88
Rot. Bonds5

About N-[5-chloro-2-[[(2S)-2-methylsulfanylpropanoyl]amino]phenyl]furan-2-carboxamide

N-[5-chloro-2-[[(2S)-2-methylsulfanylpropanoyl]amino]phenyl]furan-2-carboxamide (PubChem CID 94660299) has the molecular formula C15H15ClN2O3S and a molecular weight of 338.82 g/mol. Its IUPAC name is N-[5-chloro-2-[[(2S)-2-methylsulfanylpropanoyl]amino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-2-[[(2S)-2-methylsulfanylpropanoyl]amino]phenyl]furan-2-carboxamide
PubChem CID94660299
Molecular FormulaC15H15ClN2O3S
Molecular Weight338.82 g/mol
Exact Mass338.05
IUPAC NameN-[5-chloro-2-[[(2S)-2-methylsulfanylpropanoyl]amino]phenyl]furan-2-carboxamide
SMILESCS[C@@H](C)C(=O)Nc1ccc(Cl)cc1NC(=O)c1ccco1
InChIInChI=1S/C15H15ClN2O3S/c1-9(22-2)14(19)17-11-6-5-10(16)8-12(11)18-15(20)13-4-3-7-21-13/h3-9H,1-2H3,(H,17,19)(H,18,20)/t9-/m0/s1
InChIKeyJWGXUVXIAKQEEK-VIFPVBQESA-N
XLogP3.88
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.82
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dichlorophenyl)furan-2-carboxamide
CID 3105425
N-[5-chloro-2-[(3-fluorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 55645358
N-[5-chloro-2-[[3-(dimethylamino)benzoyl]amino]phenyl]furan-2-carboxamide
CID 55811826
5-chloro-2-(furan-2-carbonylamino)benzoic acid
CID 16777457
N-[4-chloro-2-(furan-2-carbonylamino)phenyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 55933881
methyl 4-chloro-2-(furan-2-carbonylamino)benzoate
CID 60630180
N-(2-amino-5-chlorophenyl)-2-methylsulfanylpropanamide
CID 61023322
N-[5-chloro-2-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]furan-2-carboxamide
CID 55811858
N-[5-chloro-2-[(4-oxo-4-phenylbutanoyl)amino]phenyl]furan-2-carboxamide
CID 55932482
N-[2-[(2-bromophenyl)sulfonylamino]-5-chlorophenyl]furan-2-carboxamide
CID 39344896
N-[4-chloro-2-(furan-2-carbonylamino)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 55991899
[(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] furan-2-carboxylate
CID 2386762

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-[[(2S)-2-methylsulfanylpropanoyl]amino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[5-chloro-2-[[(2S)-2-methylsulfanylpropanoyl]amino]phenyl]furan-2-carboxamide (CID 94660299) is N-[5-chloro-2-[[(2S)-2-methylsulfanylpropanoyl]amino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[5-chloro-2-[[(2S)-2-methylsulfanylpropanoyl]amino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[5-chloro-2-[[(2S)-2-methylsulfanylpropanoyl]amino]phenyl]furan-2-carboxamide is CS[C@@H](C)C(=O)Nc1ccc(Cl)cc1NC(=O)c1ccco1.
What is the InChIKey of N-[5-chloro-2-[[(2S)-2-methylsulfanylpropanoyl]amino]phenyl]furan-2-carboxamide?
The InChIKey is JWGXUVXIAKQEEK-VIFPVBQESA-N. The full InChI is InChI=1S/C15H15ClN2O3S/c1-9(22-2)14(19)17-11-6-5-10(16)8-12(11)18-15(20)13-4-3-7-21-13/h3-9H,1-2H3,(H,17,19)(H,18,20)/t9-/m0/s1.
What are the key properties of N-[5-chloro-2-[[(2S)-2-methylsulfanylpropanoyl]amino]phenyl]furan-2-carboxamide?
N-[5-chloro-2-[[(2S)-2-methylsulfanylpropanoyl]amino]phenyl]furan-2-carboxamide has a molecular weight of 338.82 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-[[(2S)-2-methylsulfanylpropanoyl]amino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 94660299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).