N-methyl-2-[[3-[1-(methylamino)propyl]phenyl]sulfonylamino]propanamide

C14H23N3O3S — CID 61465866

IUPACN-methyl-2-[[3-[1-(methylamino)propyl]phenyl]sulfonylamino]propanamide
SMILESCCC(NC)c1cccc(S(=O)(=O)NC(C)C(=O)NC)c1
InChIInChI=1S/C14H23N3O3S/c1-5-13(15-3)11-7-6-8-12(9-11)21(19,20)17-10(2)14(18)16-4/h6-10,13,15,17H,5H2,1-4H3,(H,16,18)
InChIKeyPBDPJDVFFVDUFF-UHFFFAOYSA-N
MW313.42 g/mol
LogP0.77
Rot. Bonds7

About N-methyl-2-[[3-[1-(methylamino)propyl]phenyl]sulfonylamino]propanamide

N-methyl-2-[[3-[1-(methylamino)propyl]phenyl]sulfonylamino]propanamide (PubChem CID 61465866) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is N-methyl-2-[[3-[1-(methylamino)propyl]phenyl]sulfonylamino]propanamide.

Molecular Properties

Compound NameN-methyl-2-[[3-[1-(methylamino)propyl]phenyl]sulfonylamino]propanamide
PubChem CID61465866
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC NameN-methyl-2-[[3-[1-(methylamino)propyl]phenyl]sulfonylamino]propanamide
SMILESCCC(NC)c1cccc(S(=O)(=O)NC(C)C(=O)NC)c1
InChIInChI=1S/C14H23N3O3S/c1-5-13(15-3)11-7-6-8-12(9-11)21(19,20)17-10(2)14(18)16-4/h6-10,13,15,17H,5H2,1-4H3,(H,16,18)
InChIKeyPBDPJDVFFVDUFF-UHFFFAOYSA-N
XLogP0.77
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-[1-(methylamino)propyl]phenyl]sulfonylamino]acetamide
CID 60873598
3-[1-(methylamino)propyl]-N-propylbenzenesulfonamide
CID 60872255
N-methyl-3-[1-(methylamino)propyl]-N-propan-2-ylbenzenesulfonamide
CID 60872266
3-[1-(methylamino)ethyl]-N-pentan-3-ylbenzenesulfonamide
CID 43506746
ethyl 2-[[3-(1-aminopropyl)phenyl]sulfonylamino]propanoate
CID 61499264
2-[[4-(1-aminoethyl)phenyl]sulfonylamino]-N-methylpropanamide
CID 61465790
2-[[3-(4-hydroxybut-1-ynyl)phenyl]sulfonylamino]-N-methylpropanamide
CID 61466477
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-methylpropanamide
CID 41330953
3-[(1R)-1-(methylamino)propyl]-N-(1-methylpyrazol-4-yl)benzenesulfonamide
CID 93345301
(2S)-2-(benzenesulfonamido)-N-[(2R)-butan-2-yl]propanamide
CID 41330742
3-[1-(methylamino)propyl]-N-(1,2-oxazol-3-yl)benzenesulfonamide
CID 62904543
2-[4-[[1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]phenyl]acetic acid
CID 61464585

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[3-[1-(methylamino)propyl]phenyl]sulfonylamino]propanamide?
The IUPAC name of N-methyl-2-[[3-[1-(methylamino)propyl]phenyl]sulfonylamino]propanamide (CID 61465866) is N-methyl-2-[[3-[1-(methylamino)propyl]phenyl]sulfonylamino]propanamide.
What is the SMILES notation for N-methyl-2-[[3-[1-(methylamino)propyl]phenyl]sulfonylamino]propanamide?
The canonical SMILES for N-methyl-2-[[3-[1-(methylamino)propyl]phenyl]sulfonylamino]propanamide is CCC(NC)c1cccc(S(=O)(=O)NC(C)C(=O)NC)c1.
What is the InChIKey of N-methyl-2-[[3-[1-(methylamino)propyl]phenyl]sulfonylamino]propanamide?
The InChIKey is PBDPJDVFFVDUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-5-13(15-3)11-7-6-8-12(9-11)21(19,20)17-10(2)14(18)16-4/h6-10,13,15,17H,5H2,1-4H3,(H,16,18).
What are the key properties of N-methyl-2-[[3-[1-(methylamino)propyl]phenyl]sulfonylamino]propanamide?
N-methyl-2-[[3-[1-(methylamino)propyl]phenyl]sulfonylamino]propanamide has a molecular weight of 313.42 g/mol, XLogP of 0.77, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[3-[1-(methylamino)propyl]phenyl]sulfonylamino]propanamide is sourced from PubChem (CID 61465866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).