N-(3-chloro-2-methylphenyl)-3-[[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]propanamide

C23H26ClN3O4S — CID 92687986

IUPACN-(3-chloro-2-methylphenyl)-3-[[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]propanamide
SMILESCc1c(Cl)cccc1NC(=O)CCNS(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(=O)C1CC1
InChIInChI=1S/C23H26ClN3O4S/c1-14-12-17-13-18(8-9-21(17)27(14)23(29)16-6-7-16)32(30,31)25-11-10-22(28)26-20-5-3-4-19(24)15(20)2/h3-5,8-9,13-14,16,25H,6-7,10-12H2,1-2H3,(H,26,28)/t14-/m1/s1
InChIKeyMAHQRWLUVBKUMC-CQSZACIVSA-N
MW476.00 g/mol
LogP3.64
Rot. Bonds7

About N-(3-chloro-2-methylphenyl)-3-[[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]propanamide

N-(3-chloro-2-methylphenyl)-3-[[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]propanamide (PubChem CID 92687986) has the molecular formula C23H26ClN3O4S and a molecular weight of 476.00 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-3-[[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-3-[[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]propanamide
PubChem CID92687986
Molecular FormulaC23H26ClN3O4S
Molecular Weight476.00 g/mol
Exact Mass475.13
IUPAC NameN-(3-chloro-2-methylphenyl)-3-[[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]propanamide
SMILESCc1c(Cl)cccc1NC(=O)CCNS(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(=O)C1CC1
InChIInChI=1S/C23H26ClN3O4S/c1-14-12-17-13-18(8-9-21(17)27(14)23(29)16-6-7-16)32(30,31)25-11-10-22(28)26-20-5-3-4-19(24)15(20)2/h3-5,8-9,13-14,16,25H,6-7,10-12H2,1-2H3,(H,26,28)/t14-/m1/s1
InChIKeyMAHQRWLUVBKUMC-CQSZACIVSA-N
XLogP3.64
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.00
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(2S)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(4-methylphenyl)propanamide
CID 92688036
N-cycloheptyl-3-[[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]propanamide
CID 92687952
3-[[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(furan-2-ylmethyl)propanamide
CID 92688041
3-[[(2S)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 92688011
3-[[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide
CID 92687932
3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-chloro-4-methylphenyl)propanamide
CID 24791899
N-(3-chloro-2-methylphenyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 17192157
3-[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(2,4-dimethylphenyl)propanamide
CID 20917376
3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]-N-(2-methylphenyl)propanamide
CID 46361209
N-(1,3-benzodioxol-5-ylmethyl)-3-[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]propanamide
CID 46274896
1-(cyclopropanecarbonyl)-2-methyl-N-(3-methylphenyl)-2,3-dihydroindole-5-sulfonamide
CID 20901711
3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-chloro-4-fluorophenyl)propanamide
CID 46274855

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-3-[[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]propanamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-3-[[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]propanamide (CID 92687986) is N-(3-chloro-2-methylphenyl)-3-[[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]propanamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-3-[[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]propanamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-3-[[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]propanamide is Cc1c(Cl)cccc1NC(=O)CCNS(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(=O)C1CC1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-3-[[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]propanamide?
The InChIKey is MAHQRWLUVBKUMC-CQSZACIVSA-N. The full InChI is InChI=1S/C23H26ClN3O4S/c1-14-12-17-13-18(8-9-21(17)27(14)23(29)16-6-7-16)32(30,31)25-11-10-22(28)26-20-5-3-4-19(24)15(20)2/h3-5,8-9,13-14,16,25H,6-7,10-12H2,1-2H3,(H,26,28)/t14-/m1/s1.
What are the key properties of N-(3-chloro-2-methylphenyl)-3-[[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]propanamide?
N-(3-chloro-2-methylphenyl)-3-[[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]propanamide has a molecular weight of 476.00 g/mol, XLogP of 3.64, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-3-[[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]propanamide is sourced from PubChem (CID 92687986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).