N-[(5-methylfuran-2-yl)methyl]-4-(4-methylpiperidin-1-yl)sulfonyl-N-propan-2-ylbenzamide

C22H30N2O4S — CID 55856871

IUPACN-[(5-methylfuran-2-yl)methyl]-4-(4-methylpiperidin-1-yl)sulfonyl-N-propan-2-ylbenzamide
SMILESCc1ccc(CN(C(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)C(C)C)o1
InChIInChI=1S/C22H30N2O4S/c1-16(2)24(15-20-8-5-18(4)28-20)22(25)19-6-9-21(10-7-19)29(26,27)23-13-11-17(3)12-14-23/h5-10,16-17H,11-15H2,1-4H3
InChIKeyOPMCPLWSPRSSFA-UHFFFAOYSA-N
MW418.56 g/mol
LogP4.06
Rot. Bonds6

About N-[(5-methylfuran-2-yl)methyl]-4-(4-methylpiperidin-1-yl)sulfonyl-N-propan-2-ylbenzamide

N-[(5-methylfuran-2-yl)methyl]-4-(4-methylpiperidin-1-yl)sulfonyl-N-propan-2-ylbenzamide (PubChem CID 55856871) has the molecular formula C22H30N2O4S and a molecular weight of 418.56 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]-4-(4-methylpiperidin-1-yl)sulfonyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]-4-(4-methylpiperidin-1-yl)sulfonyl-N-propan-2-ylbenzamide
PubChem CID55856871
Molecular FormulaC22H30N2O4S
Molecular Weight418.56 g/mol
Exact Mass418.19
IUPAC NameN-[(5-methylfuran-2-yl)methyl]-4-(4-methylpiperidin-1-yl)sulfonyl-N-propan-2-ylbenzamide
SMILESCc1ccc(CN(C(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)C(C)C)o1
InChIInChI=1S/C22H30N2O4S/c1-16(2)24(15-20-8-5-18(4)28-20)22(25)19-6-9-21(10-7-19)29(26,27)23-13-11-17(3)12-14-23/h5-10,16-17H,11-15H2,1-4H3
InChIKeyOPMCPLWSPRSSFA-UHFFFAOYSA-N
XLogP4.06
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.56
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-tert-butylphenyl)sulfonyl-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 55855836
N-[(5-methylfuran-2-yl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)-N-propan-2-ylpropanamide
CID 55819003
N-[(5-methylfuran-2-yl)methyl]-4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-propan-2-ylbenzamide
CID 55990967
N-methoxy-N-methyl-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 17402330
N-benzyl-N-propan-2-yl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 51180384
N-benzyl-N-ethyl-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 9098528
N-(furan-2-ylmethyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 1044182
6-bromo-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpyridine-3-carboxamide
CID 66463920
4-(cyclopropylamino)-N-[(5-methylfuran-2-yl)methyl]-3-nitro-N-propan-2-ylbenzamide
CID 55991857
methyl 3-[[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]-(2-methylpropyl)amino]propanoate
CID 55820096
4-chloro-3-(diethylsulfamoyl)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbenzamide
CID 55819127
N-[(5-methylfuran-2-yl)methyl]-2-[6-(4-methylpiperidin-1-yl)sulfonyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 20903108

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]-4-(4-methylpiperidin-1-yl)sulfonyl-N-propan-2-ylbenzamide?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-4-(4-methylpiperidin-1-yl)sulfonyl-N-propan-2-ylbenzamide (CID 55856871) is N-[(5-methylfuran-2-yl)methyl]-4-(4-methylpiperidin-1-yl)sulfonyl-N-propan-2-ylbenzamide.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-4-(4-methylpiperidin-1-yl)sulfonyl-N-propan-2-ylbenzamide?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-4-(4-methylpiperidin-1-yl)sulfonyl-N-propan-2-ylbenzamide is Cc1ccc(CN(C(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)C(C)C)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-4-(4-methylpiperidin-1-yl)sulfonyl-N-propan-2-ylbenzamide?
The InChIKey is OPMCPLWSPRSSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4S/c1-16(2)24(15-20-8-5-18(4)28-20)22(25)19-6-9-21(10-7-19)29(26,27)23-13-11-17(3)12-14-23/h5-10,16-17H,11-15H2,1-4H3.
What are the key properties of N-[(5-methylfuran-2-yl)methyl]-4-(4-methylpiperidin-1-yl)sulfonyl-N-propan-2-ylbenzamide?
N-[(5-methylfuran-2-yl)methyl]-4-(4-methylpiperidin-1-yl)sulfonyl-N-propan-2-ylbenzamide has a molecular weight of 418.56 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methyl]-4-(4-methylpiperidin-1-yl)sulfonyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 55856871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).