N-[(1R)-1-[4-(methanesulfonamido)-3-methylphenyl]ethyl]-3-propan-2-ylquinoline-2-carboxamide

C23H27N3O3S — CID 25010577

IUPACN-[(1R)-1-[4-(methanesulfonamido)-3-methylphenyl]ethyl]-3-propan-2-ylquinoline-2-carboxamide
SMILESCc1cc([C@@H](C)NC(=O)c2nc3ccccc3cc2C(C)C)ccc1NS(C)(=O)=O
InChIInChI=1S/C23H27N3O3S/c1-14(2)19-13-18-8-6-7-9-21(18)25-22(19)23(27)24-16(4)17-10-11-20(15(3)12-17)26-30(5,28)29/h6-14,16,26H,1-5H3,(H,24,27)/t16-/m1/s1
InChIKeyJTBGDSLNDYQCHE-MRXNPFEDSA-N
MW425.55 g/mol
LogP4.53
Rot. Bonds6

About N-[(1R)-1-[4-(methanesulfonamido)-3-methylphenyl]ethyl]-3-propan-2-ylquinoline-2-carboxamide

N-[(1R)-1-[4-(methanesulfonamido)-3-methylphenyl]ethyl]-3-propan-2-ylquinoline-2-carboxamide (PubChem CID 25010577) has the molecular formula C23H27N3O3S and a molecular weight of 425.55 g/mol. Its IUPAC name is N-[(1R)-1-[4-(methanesulfonamido)-3-methylphenyl]ethyl]-3-propan-2-ylquinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[4-(methanesulfonamido)-3-methylphenyl]ethyl]-3-propan-2-ylquinoline-2-carboxamide
PubChem CID25010577
Molecular FormulaC23H27N3O3S
Molecular Weight425.55 g/mol
Exact Mass425.18
IUPAC NameN-[(1R)-1-[4-(methanesulfonamido)-3-methylphenyl]ethyl]-3-propan-2-ylquinoline-2-carboxamide
SMILESCc1cc([C@@H](C)NC(=O)c2nc3ccccc3cc2C(C)C)ccc1NS(C)(=O)=O
InChIInChI=1S/C23H27N3O3S/c1-14(2)19-13-18-8-6-7-9-21(18)25-22(19)23(27)24-16(4)17-10-11-20(15(3)12-17)26-30(5,28)29/h6-14,16,26H,1-5H3,(H,24,27)/t16-/m1/s1
InChIKeyJTBGDSLNDYQCHE-MRXNPFEDSA-N
XLogP4.53
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-[4-(methanesulfonamido)-3-methylphenyl]ethyl]-6-(trifluoromethyl)quinoline-2-carboxamide
CID 25010239
N-[4-[1-(chloroamino)ethyl]-2-methylphenyl]methanesulfonamide
CID 89245904
6-cyclopropyl-N-[(1R)-1-[4-(methanesulfonamido)-3-methylphenyl]ethyl]naphthalene-2-carboxamide
CID 25010416
N-[1-(4-fluorophenyl)ethyl]-4-(methanesulfonamido)-3-methylbenzamide
CID 53281833
N-[1-(4-ethylphenyl)ethyl]-4-(methanesulfonamido)-3-methylbenzamide
CID 133228176
4-(methanesulfonamido)-3-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 133190622
3-(methanesulfonamido)-4-methyl-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 36614257
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-4-(methanesulfonamido)-3-methylbenzamide
CID 99130877
N-[1-(3,4-dimethylphenyl)ethyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 132670931
3-[(2,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 1260972
4-(benzenesulfonamido)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-methylbenzamide
CID 133188885
4-(benzenesulfonamido)-N-[1-(3,4-dimethoxyphenyl)ethyl]-3-methylbenzamide
CID 46764267

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[4-(methanesulfonamido)-3-methylphenyl]ethyl]-3-propan-2-ylquinoline-2-carboxamide?
The IUPAC name of N-[(1R)-1-[4-(methanesulfonamido)-3-methylphenyl]ethyl]-3-propan-2-ylquinoline-2-carboxamide (CID 25010577) is N-[(1R)-1-[4-(methanesulfonamido)-3-methylphenyl]ethyl]-3-propan-2-ylquinoline-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-[4-(methanesulfonamido)-3-methylphenyl]ethyl]-3-propan-2-ylquinoline-2-carboxamide?
The canonical SMILES for N-[(1R)-1-[4-(methanesulfonamido)-3-methylphenyl]ethyl]-3-propan-2-ylquinoline-2-carboxamide is Cc1cc([C@@H](C)NC(=O)c2nc3ccccc3cc2C(C)C)ccc1NS(C)(=O)=O.
What is the InChIKey of N-[(1R)-1-[4-(methanesulfonamido)-3-methylphenyl]ethyl]-3-propan-2-ylquinoline-2-carboxamide?
The InChIKey is JTBGDSLNDYQCHE-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H27N3O3S/c1-14(2)19-13-18-8-6-7-9-21(18)25-22(19)23(27)24-16(4)17-10-11-20(15(3)12-17)26-30(5,28)29/h6-14,16,26H,1-5H3,(H,24,27)/t16-/m1/s1.
What are the key properties of N-[(1R)-1-[4-(methanesulfonamido)-3-methylphenyl]ethyl]-3-propan-2-ylquinoline-2-carboxamide?
N-[(1R)-1-[4-(methanesulfonamido)-3-methylphenyl]ethyl]-3-propan-2-ylquinoline-2-carboxamide has a molecular weight of 425.55 g/mol, XLogP of 4.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[4-(methanesulfonamido)-3-methylphenyl]ethyl]-3-propan-2-ylquinoline-2-carboxamide is sourced from PubChem (CID 25010577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).