N-(2-aminoethyl)-4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzenesulfonamide

C21H28N4O3S — CID 153347937

IUPACN-(2-aminoethyl)-4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzenesulfonamide
SMILESCCC(=O)N1c2ccccc2[C@H](Nc2ccc(S(=O)(=O)NCCN)cc2)C[C@@H]1C
InChIInChI=1S/C21H28N4O3S/c1-3-21(26)25-15(2)14-19(18-6-4-5-7-20(18)25)24-16-8-10-17(11-9-16)29(27,28)23-13-12-22/h4-11,15,19,23-24H,3,12-14,22H2,1-2H3/t15-,19+/m0/s1
InChIKeyPMUDCZUGEUDWIK-HNAYVOBHSA-N
MW416.55 g/mol
LogP2.61
Rot. Bonds7

About N-(2-aminoethyl)-4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzenesulfonamide

N-(2-aminoethyl)-4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzenesulfonamide (PubChem CID 153347937) has the molecular formula C21H28N4O3S and a molecular weight of 416.55 g/mol. Its IUPAC name is N-(2-aminoethyl)-4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzenesulfonamide
PubChem CID153347937
Molecular FormulaC21H28N4O3S
Molecular Weight416.55 g/mol
Exact Mass416.19
IUPAC NameN-(2-aminoethyl)-4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzenesulfonamide
SMILESCCC(=O)N1c2ccccc2[C@H](Nc2ccc(S(=O)(=O)NCCN)cc2)C[C@@H]1C
InChIInChI=1S/C21H28N4O3S/c1-3-21(26)25-15(2)14-19(18-6-4-5-7-20(18)25)24-16-8-10-17(11-9-16)29(27,28)23-13-12-22/h4-11,15,19,23-24H,3,12-14,22H2,1-2H3/t15-,19+/m0/s1
InChIKeyPMUDCZUGEUDWIK-HNAYVOBHSA-N
XLogP2.61
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.55
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(2-aminoethyl)-4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-methyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 139548220
2-amino-N-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]acetamide
CID 153348007
N-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]propanamide
CID 160893183
N-(3-aminopropyl)-4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzamide;hydrochloride
CID 153347898
(2R)-2-amino-N-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]propanamide
CID 153347967
1-[2-methyl-4-[(6-methyl-3-pyridinyl)amino]-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 139548227
3-[[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoyl]amino]propylcarbamic acid
CID 175077923
4-[(2S,4S)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-4-oxobutanoate
CID 7283388
N-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]-2-[[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]methylamino]acetamide
CID 153347821
1-(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)nonan-1-one
CID 3613081
N-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]piperidine-4-carboxamide;hydrochloride
CID 153348206
[4-[4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]anilino]-4-oxobut-2-ynyl] carbamate
CID 175077941

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzenesulfonamide?
The IUPAC name of N-(2-aminoethyl)-4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzenesulfonamide (CID 153347937) is N-(2-aminoethyl)-4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzenesulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzenesulfonamide?
The canonical SMILES for N-(2-aminoethyl)-4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzenesulfonamide is CCC(=O)N1c2ccccc2[C@H](Nc2ccc(S(=O)(=O)NCCN)cc2)C[C@@H]1C.
What is the InChIKey of N-(2-aminoethyl)-4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzenesulfonamide?
The InChIKey is PMUDCZUGEUDWIK-HNAYVOBHSA-N. The full InChI is InChI=1S/C21H28N4O3S/c1-3-21(26)25-15(2)14-19(18-6-4-5-7-20(18)25)24-16-8-10-17(11-9-16)29(27,28)23-13-12-22/h4-11,15,19,23-24H,3,12-14,22H2,1-2H3/t15-,19+/m0/s1.
What are the key properties of N-(2-aminoethyl)-4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzenesulfonamide?
N-(2-aminoethyl)-4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzenesulfonamide has a molecular weight of 416.55 g/mol, XLogP of 2.61, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-4-[[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzenesulfonamide is sourced from PubChem (CID 153347937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).