1-[1-[2-[2-methoxy-5-[methyl(methylsulfonyl)amino]phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide

C25H32N4O4S — CID 59727816

IUPAC1-[1-[2-[2-methoxy-5-[methyl(methylsulfonyl)amino]phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide
SMILESCOc1ccc(N(C)S(C)(=O)=O)cc1CCN1CCC(n2ccc3ccc(C(N)=O)cc32)CC1
InChIInChI=1S/C25H32N4O4S/c1-27(34(3,31)32)22-6-7-24(33-2)19(16-22)8-12-28-13-10-21(11-14-28)29-15-9-18-4-5-20(25(26)30)17-23(18)29/h4-7,9,15-17,21H,8,10-14H2,1-3H3,(H2,26,30)
InChIKeyBIDWDPXVMOBIFA-UHFFFAOYSA-N
MW484.62 g/mol
LogP3.02
Rot. Bonds8

About 1-[1-[2-[2-methoxy-5-[methyl(methylsulfonyl)amino]phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide

1-[1-[2-[2-methoxy-5-[methyl(methylsulfonyl)amino]phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide (PubChem CID 59727816) has the molecular formula C25H32N4O4S and a molecular weight of 484.62 g/mol. Its IUPAC name is 1-[1-[2-[2-methoxy-5-[methyl(methylsulfonyl)amino]phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide.

Molecular Properties

Compound Name1-[1-[2-[2-methoxy-5-[methyl(methylsulfonyl)amino]phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide
PubChem CID59727816
Molecular FormulaC25H32N4O4S
Molecular Weight484.62 g/mol
Exact Mass484.21
IUPAC Name1-[1-[2-[2-methoxy-5-[methyl(methylsulfonyl)amino]phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide
SMILESCOc1ccc(N(C)S(C)(=O)=O)cc1CCN1CCC(n2ccc3ccc(C(N)=O)cc32)CC1
InChIInChI=1S/C25H32N4O4S/c1-27(34(3,31)32)22-6-7-24(33-2)19(16-22)8-12-28-13-10-21(11-14-28)29-15-9-18-4-5-20(25(26)30)17-23(18)29/h4-7,9,15-17,21H,8,10-14H2,1-3H3,(H2,26,30)
InChIKeyBIDWDPXVMOBIFA-UHFFFAOYSA-N
XLogP3.02
TPSA97.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.62
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-[2-methoxy-5-[methyl(methylsulfonyl)amino]phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide?
The IUPAC name of 1-[1-[2-[2-methoxy-5-[methyl(methylsulfonyl)amino]phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide (CID 59727816) is 1-[1-[2-[2-methoxy-5-[methyl(methylsulfonyl)amino]phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide.
What is the SMILES notation for 1-[1-[2-[2-methoxy-5-[methyl(methylsulfonyl)amino]phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide?
The canonical SMILES for 1-[1-[2-[2-methoxy-5-[methyl(methylsulfonyl)amino]phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide is COc1ccc(N(C)S(C)(=O)=O)cc1CCN1CCC(n2ccc3ccc(C(N)=O)cc32)CC1.
What is the InChIKey of 1-[1-[2-[2-methoxy-5-[methyl(methylsulfonyl)amino]phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide?
The InChIKey is BIDWDPXVMOBIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O4S/c1-27(34(3,31)32)22-6-7-24(33-2)19(16-22)8-12-28-13-10-21(11-14-28)29-15-9-18-4-5-20(25(26)30)17-23(18)29/h4-7,9,15-17,21H,8,10-14H2,1-3H3,(H2,26,30).
What are the key properties of 1-[1-[2-[2-methoxy-5-[methyl(methylsulfonyl)amino]phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide?
1-[1-[2-[2-methoxy-5-[methyl(methylsulfonyl)amino]phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide has a molecular weight of 484.62 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-[2-methoxy-5-[methyl(methylsulfonyl)amino]phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide is sourced from PubChem (CID 59727816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).