N-(2,3-dihydro-1H-inden-1-yl)-5-methyl-N-(2-methylpropyl)furan-2-sulfonamide

C18H23NO3S — CID 141057778

IUPACN-(2,3-dihydro-1H-inden-1-yl)-5-methyl-N-(2-methylpropyl)furan-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)N(CC(C)C)C2CCc3ccccc32)o1
InChIInChI=1S/C18H23NO3S/c1-13(2)12-19(23(20,21)18-11-8-14(3)22-18)17-10-9-15-6-4-5-7-16(15)17/h4-8,11,13,17H,9-10,12H2,1-3H3
InChIKeyMXUGDWBCUJNNKP-UHFFFAOYSA-N
MW333.45 g/mol
LogP3.92
Rot. Bonds5

About N-(2,3-dihydro-1H-inden-1-yl)-5-methyl-N-(2-methylpropyl)furan-2-sulfonamide

N-(2,3-dihydro-1H-inden-1-yl)-5-methyl-N-(2-methylpropyl)furan-2-sulfonamide (PubChem CID 141057778) has the molecular formula C18H23NO3S and a molecular weight of 333.45 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-yl)-5-methyl-N-(2-methylpropyl)furan-2-sulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-yl)-5-methyl-N-(2-methylpropyl)furan-2-sulfonamide
PubChem CID141057778
Molecular FormulaC18H23NO3S
Molecular Weight333.45 g/mol
Exact Mass333.14
IUPAC NameN-(2,3-dihydro-1H-inden-1-yl)-5-methyl-N-(2-methylpropyl)furan-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)N(CC(C)C)C2CCc3ccccc32)o1
InChIInChI=1S/C18H23NO3S/c1-13(2)12-19(23(20,21)18-11-8-14(3)22-18)17-10-9-15-6-4-5-7-16(15)17/h4-8,11,13,17H,9-10,12H2,1-3H3
InChIKeyMXUGDWBCUJNNKP-UHFFFAOYSA-N
XLogP3.92
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1H-inden-1-yl)-N-prop-2-ynylmethanesulfonamide
CID 156963728
5-(aminomethyl)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylthiophene-2-sulfonamide
CID 106266202
(1R)-N-hexan-2-yl-N-propan-2-yl-2,3-dihydro-1H-inden-1-amine
CID 163608589
2-[2-methylpropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid
CID 65064011
2,3-dihydro-1H-inden-1-yl(prop-2-ynyl)sulfamic acid
CID 170458147
[(1R)-2,3-dihydro-1H-inden-1-yl]-prop-2-ynylsulfamic acid
CID 125404549
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-methyl-5-sulfamoylfuran-2-carboxamide
CID 94649531
N-(2,3-dihydro-1H-inden-1-yl)-N-(2-hydroxyethyl)-2-propan-2-yl-1H-imidazole-5-sulfonamide
CID 71911311
2-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzenesulfonamide
CID 43577802
3-[2,3-dihydro-1H-inden-1-yl(ethyl)amino]-2-methylpropanoic acid
CID 65061323
2-[propan-2-yl(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)amino]acetic acid
CID 65056941
(1R)-N-[3-(benzenesulfonyl)propyl]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 95149953

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-5-methyl-N-(2-methylpropyl)furan-2-sulfonamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-5-methyl-N-(2-methylpropyl)furan-2-sulfonamide (CID 141057778) is N-(2,3-dihydro-1H-inden-1-yl)-5-methyl-N-(2-methylpropyl)furan-2-sulfonamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-yl)-5-methyl-N-(2-methylpropyl)furan-2-sulfonamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-yl)-5-methyl-N-(2-methylpropyl)furan-2-sulfonamide is Cc1ccc(S(=O)(=O)N(CC(C)C)C2CCc3ccccc32)o1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-yl)-5-methyl-N-(2-methylpropyl)furan-2-sulfonamide?
The InChIKey is MXUGDWBCUJNNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3S/c1-13(2)12-19(23(20,21)18-11-8-14(3)22-18)17-10-9-15-6-4-5-7-16(15)17/h4-8,11,13,17H,9-10,12H2,1-3H3.
What are the key properties of N-(2,3-dihydro-1H-inden-1-yl)-5-methyl-N-(2-methylpropyl)furan-2-sulfonamide?
N-(2,3-dihydro-1H-inden-1-yl)-5-methyl-N-(2-methylpropyl)furan-2-sulfonamide has a molecular weight of 333.45 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-1-yl)-5-methyl-N-(2-methylpropyl)furan-2-sulfonamide is sourced from PubChem (CID 141057778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).