(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N,3-dimethylbutanamide

C19H24ClN3O5S — CID 24619526

IUPAC(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N,3-dimethylbutanamide
SMILESCC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N(C)CC(=O)NCc1ccco1
InChIInChI=1S/C19H24ClN3O5S/c1-13(2)18(22-29(26,27)16-8-6-14(20)7-9-16)19(25)23(3)12-17(24)21-11-15-5-4-10-28-15/h4-10,13,18,22H,11-12H2,1-3H3,(H,21,24)/t18-/m0/s1
InChIKeyKFXZVDCNEIBWOG-SFHVURJKSA-N
MW441.94 g/mol
LogP2.01
Rot. Bonds9

About (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N,3-dimethylbutanamide

(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N,3-dimethylbutanamide (PubChem CID 24619526) has the molecular formula C19H24ClN3O5S and a molecular weight of 441.94 g/mol. Its IUPAC name is (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N,3-dimethylbutanamide
PubChem CID24619526
Molecular FormulaC19H24ClN3O5S
Molecular Weight441.94 g/mol
Exact Mass441.11
IUPAC Name(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N,3-dimethylbutanamide
SMILESCC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N(C)CC(=O)NCc1ccco1
InChIInChI=1S/C19H24ClN3O5S/c1-13(2)18(22-29(26,27)16-8-6-14(20)7-9-16)19(25)23(3)12-17(24)21-11-15-5-4-10-28-15/h4-10,13,18,22H,11-12H2,1-3H3,(H,21,24)/t18-/m0/s1
InChIKeyKFXZVDCNEIBWOG-SFHVURJKSA-N
XLogP2.01
TPSA108.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.94
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N,3-dimethylbutanamide with MolForge

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Related Compounds

2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-(furan-2-ylmethyl)acetamide
CID 1247881
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(furan-2-ylmethyl)acetamide
CID 2222335
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate
CID 51437130
(2S)-2-[(4-chlorophenyl)methylsulfonylamino]-N-(furan-2-ylmethyl)-3-methylbutanamide
CID 110349256
N-(furan-2-ylmethyl)-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
CID 18160117
2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]-N-(furan-2-ylmethyl)acetamide
CID 100788465
2-[(4-bromophenyl)sulfonyl-[(4-chlorophenyl)methyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 1315730
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate
CID 3899296
2-(benzenesulfonamido)-N-[(4-chlorophenyl)methyl]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide
CID 3207219
N-(furan-2-ylmethyl)-2-[methyl-[(1R)-1-(4-methylsulfonylphenyl)ethyl]amino]acetamide
CID 95594368
2-(2,4-dichloro-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide
CID 2973377
2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(furan-2-ylmethyl)acetamide
CID 6493708

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N,3-dimethylbutanamide?
The IUPAC name of (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N,3-dimethylbutanamide (CID 24619526) is (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N,3-dimethylbutanamide is CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N(C)CC(=O)NCc1ccco1.
What is the InChIKey of (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N,3-dimethylbutanamide?
The InChIKey is KFXZVDCNEIBWOG-SFHVURJKSA-N. The full InChI is InChI=1S/C19H24ClN3O5S/c1-13(2)18(22-29(26,27)16-8-6-14(20)7-9-16)19(25)23(3)12-17(24)21-11-15-5-4-10-28-15/h4-10,13,18,22H,11-12H2,1-3H3,(H,21,24)/t18-/m0/s1.
What are the key properties of (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N,3-dimethylbutanamide?
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N,3-dimethylbutanamide has a molecular weight of 441.94 g/mol, XLogP of 2.01, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N,3-dimethylbutanamide is sourced from PubChem (CID 24619526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).