N-[1-[2-(3-bromo-2-methylindol-1-yl)acetyl]piperidin-4-yl]thiophene-2-sulfonamide

C20H22BrN3O3S2 — CID 60520173

IUPACN-[1-[2-(3-bromo-2-methylindol-1-yl)acetyl]piperidin-4-yl]thiophene-2-sulfonamide
SMILESCc1c(Br)c2ccccc2n1CC(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C20H22BrN3O3S2/c1-14-20(21)16-5-2-3-6-17(16)24(14)13-18(25)23-10-8-15(9-11-23)22-29(26,27)19-7-4-12-28-19/h2-7,12,15,22H,8-11,13H2,1H3
InChIKeyQVHDMHFYSZNBFM-UHFFFAOYSA-N
MW496.45 g/mol
LogP3.74
Rot. Bonds5

About N-[1-[2-(3-bromo-2-methylindol-1-yl)acetyl]piperidin-4-yl]thiophene-2-sulfonamide

N-[1-[2-(3-bromo-2-methylindol-1-yl)acetyl]piperidin-4-yl]thiophene-2-sulfonamide (PubChem CID 60520173) has the molecular formula C20H22BrN3O3S2 and a molecular weight of 496.45 g/mol. Its IUPAC name is N-[1-[2-(3-bromo-2-methylindol-1-yl)acetyl]piperidin-4-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-[2-(3-bromo-2-methylindol-1-yl)acetyl]piperidin-4-yl]thiophene-2-sulfonamide
PubChem CID60520173
Molecular FormulaC20H22BrN3O3S2
Molecular Weight496.45 g/mol
Exact Mass495.03
IUPAC NameN-[1-[2-(3-bromo-2-methylindol-1-yl)acetyl]piperidin-4-yl]thiophene-2-sulfonamide
SMILESCc1c(Br)c2ccccc2n1CC(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C20H22BrN3O3S2/c1-14-20(21)16-5-2-3-6-17(16)24(14)13-18(25)23-10-8-15(9-11-23)22-29(26,27)19-7-4-12-28-19/h2-7,12,15,22H,8-11,13H2,1H3
InChIKeyQVHDMHFYSZNBFM-UHFFFAOYSA-N
XLogP3.74
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.45
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 33348692
N-[1-[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 38170585
N-[1-[2-methyl-3-(methylamino)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 119726760
N-[1-(4-aminobutanoyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 119291200
N-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 33168871
4-[4-(thiophen-2-ylsulfonylamino)piperidine-1-carbonyl]cubane-1-carboxamide
CID 166343391
N-[1-(2-amino-2-methylpropanoyl)piperidin-4-yl]thiophene-2-sulfonamide;hydrochloride
CID 119291177
N-propan-2-yl-4-(thiophen-2-ylsulfonylamino)piperidine-1-carboxamide
CID 110822400
N-[1-[2-(3-methylbutoxy)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 48851978
N-methyl-N-[2-oxo-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]ethyl]prop-2-enamide
CID 166406523
ethyl 4-[4-(thiophen-2-ylsulfonylamino)piperidine-1-carbonyl]piperidine-1-carboxylate
CID 33170749
N-[1-[2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 33349321

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3-bromo-2-methylindol-1-yl)acetyl]piperidin-4-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[1-[2-(3-bromo-2-methylindol-1-yl)acetyl]piperidin-4-yl]thiophene-2-sulfonamide (CID 60520173) is N-[1-[2-(3-bromo-2-methylindol-1-yl)acetyl]piperidin-4-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[1-[2-(3-bromo-2-methylindol-1-yl)acetyl]piperidin-4-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[1-[2-(3-bromo-2-methylindol-1-yl)acetyl]piperidin-4-yl]thiophene-2-sulfonamide is Cc1c(Br)c2ccccc2n1CC(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1.
What is the InChIKey of N-[1-[2-(3-bromo-2-methylindol-1-yl)acetyl]piperidin-4-yl]thiophene-2-sulfonamide?
The InChIKey is QVHDMHFYSZNBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrN3O3S2/c1-14-20(21)16-5-2-3-6-17(16)24(14)13-18(25)23-10-8-15(9-11-23)22-29(26,27)19-7-4-12-28-19/h2-7,12,15,22H,8-11,13H2,1H3.
What are the key properties of N-[1-[2-(3-bromo-2-methylindol-1-yl)acetyl]piperidin-4-yl]thiophene-2-sulfonamide?
N-[1-[2-(3-bromo-2-methylindol-1-yl)acetyl]piperidin-4-yl]thiophene-2-sulfonamide has a molecular weight of 496.45 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3-bromo-2-methylindol-1-yl)acetyl]piperidin-4-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 60520173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).