(1R)-1-[(2-chlorophenyl)sulfonylamino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide

C27H29ClN4O3S — CID 66798662

IUPAC(1R)-1-[(2-chlorophenyl)sulfonylamino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide
SMILESCN(C(=O)c1ccc2c(c1)CC[C@H]2NS(=O)(=O)c1ccccc1Cl)C1CCN(c2ccncc2)CC1
InChIInChI=1S/C27H29ClN4O3S/c1-31(21-12-16-32(17-13-21)22-10-14-29-15-11-22)27(33)20-6-8-23-19(18-20)7-9-25(23)30-36(34,35)26-5-3-2-4-24(26)28/h2-6,8,10-11,14-15,18,21,25,30H,7,9,12-13,16-17H2,1H3/t25-/m1/s1
InChIKeyWXUXAZLZDOXVIG-RUZDIDTESA-N
MW525.07 g/mol
LogP4.44
Rot. Bonds6

About (1R)-1-[(2-chlorophenyl)sulfonylamino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide

(1R)-1-[(2-chlorophenyl)sulfonylamino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 66798662) has the molecular formula C27H29ClN4O3S and a molecular weight of 525.07 g/mol. Its IUPAC name is (1R)-1-[(2-chlorophenyl)sulfonylamino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound Name(1R)-1-[(2-chlorophenyl)sulfonylamino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID66798662
Molecular FormulaC27H29ClN4O3S
Molecular Weight525.07 g/mol
Exact Mass524.16
IUPAC Name(1R)-1-[(2-chlorophenyl)sulfonylamino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide
SMILESCN(C(=O)c1ccc2c(c1)CC[C@H]2NS(=O)(=O)c1ccccc1Cl)C1CCN(c2ccncc2)CC1
InChIInChI=1S/C27H29ClN4O3S/c1-31(21-12-16-32(17-13-21)22-10-14-29-15-11-22)27(33)20-6-8-23-19(18-20)7-9-25(23)30-36(34,35)26-5-3-2-4-24(26)28/h2-6,8,10-11,14-15,18,21,25,30H,7,9,12-13,16-17H2,1H3/t25-/m1/s1
InChIKeyWXUXAZLZDOXVIG-RUZDIDTESA-N
XLogP4.44
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.07
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-[(2-chlorophenyl)sulfonylamino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 66798342
(3R)-3-[(2-chlorobenzoyl)amino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 66798270
3-[[2-chloro-6-(trifluoromethyl)phenyl]sulfonylamino]-N-[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
CID 66799160
[[5-[methyl-(1-pyridin-4-ylpiperidin-4-yl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]amino]-[2-(trifluoromethyl)phenyl]methanesulfinate
CID 175376334
tert-butyl N-[6-[methyl-(1-pyridin-4-ylpiperidin-4-yl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]carbamate
CID 66798861
3-(3,3-dimethylbutanoylamino)-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 66799010
N-[(1R)-6-[methyl-(1-pyridin-4-ylpiperidin-4-yl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 66798989
2-chloro-N-[(1R)-4-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide
CID 59505724
1-(cyclopentanecarbonylamino)-N-methyl-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide
CID 123728898
(3R)-N-methyl-3-(3-methylbutanoylamino)-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 66799175
2-methoxy-N-[(1R)-6-[methyl-(1-pyridin-4-ylpiperidin-4-yl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide
CID 66798383
(3R)-N-methyl-3-(pentanoylamino)-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 174679771

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(2-chlorophenyl)sulfonylamino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of (1R)-1-[(2-chlorophenyl)sulfonylamino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide (CID 66798662) is (1R)-1-[(2-chlorophenyl)sulfonylamino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for (1R)-1-[(2-chlorophenyl)sulfonylamino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for (1R)-1-[(2-chlorophenyl)sulfonylamino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide is CN(C(=O)c1ccc2c(c1)CC[C@H]2NS(=O)(=O)c1ccccc1Cl)C1CCN(c2ccncc2)CC1.
What is the InChIKey of (1R)-1-[(2-chlorophenyl)sulfonylamino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is WXUXAZLZDOXVIG-RUZDIDTESA-N. The full InChI is InChI=1S/C27H29ClN4O3S/c1-31(21-12-16-32(17-13-21)22-10-14-29-15-11-22)27(33)20-6-8-23-19(18-20)7-9-25(23)30-36(34,35)26-5-3-2-4-24(26)28/h2-6,8,10-11,14-15,18,21,25,30H,7,9,12-13,16-17H2,1H3/t25-/m1/s1.
What are the key properties of (1R)-1-[(2-chlorophenyl)sulfonylamino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide?
(1R)-1-[(2-chlorophenyl)sulfonylamino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 525.07 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(2-chlorophenyl)sulfonylamino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 66798662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).