(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)propanamide

C19H25N3O6S — CID 39408412

IUPAC(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)propanamide
SMILESCOCCN(Cc1ccco1)C(=O)[C@H](C)NS(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C19H25N3O6S/c1-14(19(24)22(10-12-27-3)13-17-5-4-11-28-17)21-29(25,26)18-8-6-16(7-9-18)20-15(2)23/h4-9,11,14,21H,10,12-13H2,1-3H3,(H,20,23)/t14-/m0/s1
InChIKeyYIKXJDCURDKRPA-AWEZNQCLSA-N
MW423.49 g/mol
LogP1.58
Rot. Bonds10

About (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)propanamide

(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)propanamide (PubChem CID 39408412) has the molecular formula C19H25N3O6S and a molecular weight of 423.49 g/mol. Its IUPAC name is (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)propanamide
PubChem CID39408412
Molecular FormulaC19H25N3O6S
Molecular Weight423.49 g/mol
Exact Mass423.15
IUPAC Name(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)propanamide
SMILESCOCCN(Cc1ccco1)C(=O)[C@H](C)NS(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C19H25N3O6S/c1-14(19(24)22(10-12-27-3)13-17-5-4-11-28-17)21-29(25,26)18-8-6-16(7-9-18)20-15(2)23/h4-9,11,14,21H,10,12-13H2,1-3H3,(H,20,23)/t14-/m0/s1
InChIKeyYIKXJDCURDKRPA-AWEZNQCLSA-N
XLogP1.58
TPSA117.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N,N-bis(furan-2-ylmethyl)propanamide
CID 39408255
4-(carbamoylamino)-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)benzamide
CID 32993957
N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 78873434
2-[(4-acetamidophenyl)sulfonyl-(3-methoxypropyl)amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 42768145
N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]acetamide
CID 670303
[4-[[furan-2-ylmethyl-(2-methoxyacetyl)amino]methyl]phenyl] 4-acetamidobenzenesulfonate
CID 46135232
1-(furan-2-ylmethyl)-1-(2-methoxyethyl)-3-(3-methylbutyl)urea
CID 86999017
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 24517360
2-[(4-acetamidophenyl)sulfonylamino]propanoic acid
CID 3393223
methyl 2-[[4-(4-acetamidophenyl)phenyl]sulfonylamino]propanoate
CID 17441403
2-[2-[(4-acetamidophenyl)sulfonylamino]propanoyl-methylamino]propanoic acid
CID 119208731
1-(furan-2-ylmethyl)-1-(2-methoxyethyl)-3-[1-(2-methylphenyl)ethyl]urea
CID 86998774

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)propanamide?
The IUPAC name of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)propanamide (CID 39408412) is (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)propanamide?
The canonical SMILES for (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)propanamide is COCCN(Cc1ccco1)C(=O)[C@H](C)NS(=O)(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)propanamide?
The InChIKey is YIKXJDCURDKRPA-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H25N3O6S/c1-14(19(24)22(10-12-27-3)13-17-5-4-11-28-17)21-29(25,26)18-8-6-16(7-9-18)20-15(2)23/h4-9,11,14,21H,10,12-13H2,1-3H3,(H,20,23)/t14-/m0/s1.
What are the key properties of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)propanamide?
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)propanamide has a molecular weight of 423.49 g/mol, XLogP of 1.58, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 39408412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).