N-[4-[(3-ethoxy-4-methoxyphenyl)methyl-piperidin-4-ylamino]phenyl]methanesulfonamide

C22H31N3O4S — CID 68859636

IUPACN-[4-[(3-ethoxy-4-methoxyphenyl)methyl-piperidin-4-ylamino]phenyl]methanesulfonamide
SMILESCCOc1cc(CN(c2ccc(NS(C)(=O)=O)cc2)C2CCNCC2)ccc1OC
InChIInChI=1S/C22H31N3O4S/c1-4-29-22-15-17(5-10-21(22)28-2)16-25(20-11-13-23-14-12-20)19-8-6-18(7-9-19)24-30(3,26)27/h5-10,15,20,23-24H,4,11-14,16H2,1-3H3
InChIKeyCTPQIIMQOKUCGZ-UHFFFAOYSA-N
MW433.57 g/mol
LogP3.22
Rot. Bonds9

About N-[4-[(3-ethoxy-4-methoxyphenyl)methyl-piperidin-4-ylamino]phenyl]methanesulfonamide

N-[4-[(3-ethoxy-4-methoxyphenyl)methyl-piperidin-4-ylamino]phenyl]methanesulfonamide (PubChem CID 68859636) has the molecular formula C22H31N3O4S and a molecular weight of 433.57 g/mol. Its IUPAC name is N-[4-[(3-ethoxy-4-methoxyphenyl)methyl-piperidin-4-ylamino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[(3-ethoxy-4-methoxyphenyl)methyl-piperidin-4-ylamino]phenyl]methanesulfonamide
PubChem CID68859636
Molecular FormulaC22H31N3O4S
Molecular Weight433.57 g/mol
Exact Mass433.20
IUPAC NameN-[4-[(3-ethoxy-4-methoxyphenyl)methyl-piperidin-4-ylamino]phenyl]methanesulfonamide
SMILESCCOc1cc(CN(c2ccc(NS(C)(=O)=O)cc2)C2CCNCC2)ccc1OC
InChIInChI=1S/C22H31N3O4S/c1-4-29-22-15-17(5-10-21(22)28-2)16-25(20-11-13-23-14-12-20)19-8-6-18(7-9-19)24-30(3,26)27/h5-10,15,20,23-24H,4,11-14,16H2,1-3H3
InChIKeyCTPQIIMQOKUCGZ-UHFFFAOYSA-N
XLogP3.22
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.57
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(3-ethoxy-4-methoxyphenyl)methyl-piperidin-4-ylamino]-4-methoxy-1H-pyrimidin-2-one
CID 68844014
ethyl 6-[(3-ethoxy-4-methoxyphenyl)methyl-piperidin-4-ylamino]pyridine-3-carboxylate
CID 68860852
3-ethoxy-4-methoxy-N-(piperidin-4-ylmethyl)aniline
CID 79708094
4-[N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-nitroanilino]cyclohexane-1-carboxamide
CID 141015244
methyl 2-[(3-ethoxy-4-methylphenyl)methyl-piperidin-4-ylamino]pyrimidine-4-carboxylate
CID 69152008
1-(3-ethoxy-4-methoxyphenyl)-N,N-dimethylmethanamine
CID 142063671
N-[4-(piperidin-4-ylmethyl)phenyl]methanesulfonamide;hydrochloride
CID 14130184
N-(4-fluorophenyl)-N-[[3-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperidin-4-amine
CID 22557922
4-[2-[(3-ethoxy-4-hydroxyphenyl)methyl-piperidin-4-ylamino]pyrimidin-5-yl]benzamide
CID 69151958
2-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl-piperidin-4-ylamino]-N,N-dimethyl-1,3-benzoxazole-5-sulfonamide
CID 69458749
N-[(3-ethyl-4-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 115118917
N-[4-[[3-(3-ethoxy-4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]methanesulfonamide
CID 18623473

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-ethoxy-4-methoxyphenyl)methyl-piperidin-4-ylamino]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[(3-ethoxy-4-methoxyphenyl)methyl-piperidin-4-ylamino]phenyl]methanesulfonamide (CID 68859636) is N-[4-[(3-ethoxy-4-methoxyphenyl)methyl-piperidin-4-ylamino]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[(3-ethoxy-4-methoxyphenyl)methyl-piperidin-4-ylamino]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[(3-ethoxy-4-methoxyphenyl)methyl-piperidin-4-ylamino]phenyl]methanesulfonamide is CCOc1cc(CN(c2ccc(NS(C)(=O)=O)cc2)C2CCNCC2)ccc1OC.
What is the InChIKey of N-[4-[(3-ethoxy-4-methoxyphenyl)methyl-piperidin-4-ylamino]phenyl]methanesulfonamide?
The InChIKey is CTPQIIMQOKUCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O4S/c1-4-29-22-15-17(5-10-21(22)28-2)16-25(20-11-13-23-14-12-20)19-8-6-18(7-9-19)24-30(3,26)27/h5-10,15,20,23-24H,4,11-14,16H2,1-3H3.
What are the key properties of N-[4-[(3-ethoxy-4-methoxyphenyl)methyl-piperidin-4-ylamino]phenyl]methanesulfonamide?
N-[4-[(3-ethoxy-4-methoxyphenyl)methyl-piperidin-4-ylamino]phenyl]methanesulfonamide has a molecular weight of 433.57 g/mol, XLogP of 3.22, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-ethoxy-4-methoxyphenyl)methyl-piperidin-4-ylamino]phenyl]methanesulfonamide is sourced from PubChem (CID 68859636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).