N-[3-(propan-2-ylsulfonylamino)phenyl]propanamide

C12H18N2O3S — CID 62999117

IUPACN-[3-(propan-2-ylsulfonylamino)phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NS(=O)(=O)C(C)C)c1
InChIInChI=1S/C12H18N2O3S/c1-4-12(15)13-10-6-5-7-11(8-10)14-18(16,17)9(2)3/h5-9,14H,4H2,1-3H3,(H,13,15)
InChIKeyGUGPBEPVZSSVID-UHFFFAOYSA-N
MW270.35 g/mol
LogP2.19
Rot. Bonds5

About N-[3-(propan-2-ylsulfonylamino)phenyl]propanamide

N-[3-(propan-2-ylsulfonylamino)phenyl]propanamide (PubChem CID 62999117) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is N-[3-(propan-2-ylsulfonylamino)phenyl]propanamide.

Molecular Properties

Compound NameN-[3-(propan-2-ylsulfonylamino)phenyl]propanamide
PubChem CID62999117
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC NameN-[3-(propan-2-ylsulfonylamino)phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NS(=O)(=O)C(C)C)c1
InChIInChI=1S/C12H18N2O3S/c1-4-12(15)13-10-6-5-7-11(8-10)14-18(16,17)9(2)3/h5-9,14H,4H2,1-3H3,(H,13,15)
InChIKeyGUGPBEPVZSSVID-UHFFFAOYSA-N
XLogP2.19
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 139481795
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2-bromo-3-methyl-N-[3-(propanoylamino)phenyl]butanamide
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4-amino-3-methyl-N-[3-(propanoylamino)phenyl]butanamide
CID 81087317
N,N'-bis[3-(propanoylamino)phenyl]nonanediamide
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N-[3-(1-cyanoethylamino)phenyl]propanamide
CID 70638220
N-[3-[[2-(butan-2-ylamino)-2-oxoethyl]amino]phenyl]propanamide
CID 54833021
N-[1-[3-(methanesulfonamido)phenyl]ethyl]-3-(propanoylamino)benzamide
CID 55837471
N-[(2S)-1-ethylsulfonylpropan-2-yl]-N-methyl-3-(propanoylamino)benzamide
CID 95625344
3-chloro-N-[3-(propanoylamino)phenyl]propanamide
CID 61251232
N-[3-[4-[2-fluoro-1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]phenyl]propanamide
CID 22176572

Frequently Asked Questions

What is the IUPAC name of N-[3-(propan-2-ylsulfonylamino)phenyl]propanamide?
The IUPAC name of N-[3-(propan-2-ylsulfonylamino)phenyl]propanamide (CID 62999117) is N-[3-(propan-2-ylsulfonylamino)phenyl]propanamide.
What is the SMILES notation for N-[3-(propan-2-ylsulfonylamino)phenyl]propanamide?
The canonical SMILES for N-[3-(propan-2-ylsulfonylamino)phenyl]propanamide is CCC(=O)Nc1cccc(NS(=O)(=O)C(C)C)c1.
What is the InChIKey of N-[3-(propan-2-ylsulfonylamino)phenyl]propanamide?
The InChIKey is GUGPBEPVZSSVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-4-12(15)13-10-6-5-7-11(8-10)14-18(16,17)9(2)3/h5-9,14H,4H2,1-3H3,(H,13,15).
What are the key properties of N-[3-(propan-2-ylsulfonylamino)phenyl]propanamide?
N-[3-(propan-2-ylsulfonylamino)phenyl]propanamide has a molecular weight of 270.35 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(propan-2-ylsulfonylamino)phenyl]propanamide is sourced from PubChem (CID 62999117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).