3-[(3,4-dimethylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)propanamide

C22H31N3O4S — CID 86945665

IUPAC3-[(3,4-dimethylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)propanamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)N(Cc2ccco2)C2CCN(C)CC2)cc1C
InChIInChI=1S/C22H31N3O4S/c1-17-6-7-21(15-18(17)2)30(27,28)23-11-8-22(26)25(16-20-5-4-14-29-20)19-9-12-24(3)13-10-19/h4-7,14-15,19,23H,8-13,16H2,1-3H3
InChIKeyKOBBXLYXDYHDHH-UHFFFAOYSA-N
MW433.57 g/mol
LogP2.69
Rot. Bonds8

About 3-[(3,4-dimethylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)propanamide

3-[(3,4-dimethylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)propanamide (PubChem CID 86945665) has the molecular formula C22H31N3O4S and a molecular weight of 433.57 g/mol. Its IUPAC name is 3-[(3,4-dimethylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name3-[(3,4-dimethylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)propanamide
PubChem CID86945665
Molecular FormulaC22H31N3O4S
Molecular Weight433.57 g/mol
Exact Mass433.20
IUPAC Name3-[(3,4-dimethylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)propanamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)N(Cc2ccco2)C2CCN(C)CC2)cc1C
InChIInChI=1S/C22H31N3O4S/c1-17-6-7-21(15-18(17)2)30(27,28)23-11-8-22(26)25(16-20-5-4-14-29-20)19-9-12-24(3)13-10-19/h4-7,14-15,19,23H,8-13,16H2,1-3H3
InChIKeyKOBBXLYXDYHDHH-UHFFFAOYSA-N
XLogP2.69
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.57
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 4807517
cis-(1R,2S)-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)-2-phenylcyclopropane-1-carboxamide
CID 96998764
N-cyclopropyl-N-(furan-2-ylmethyl)-3-sulfanylpropanamide
CID 107026655
N-(furan-2-ylmethyl)-N-[2-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonylamino]ethyl]acetamide
CID 113053971
3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[(2-methylphenyl)methyl]propanamide
CID 9368930
N-(2-cyanoethyl)-3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(furan-2-ylmethyl)propanamide
CID 47008033
5-(cyclopropanecarbonylamino)-N-(furan-2-ylmethyl)-3-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 86886999
3,4-dimethyl-N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide
CID 24980433
N-cyclopropyl-N-(furan-2-ylmethyl)-4-hydroxybutanamide
CID 79200570
3-(3,4-dimethylphenyl)-1-(furan-2-ylmethyl)-1-(oxan-4-yl)urea
CID 71801534
N-(furan-2-ylmethyl)-4-methyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 6458669
N-cyclopropyl-4-[[(3,4-dimethylphenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide
CID 24679289

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)propanamide?
The IUPAC name of 3-[(3,4-dimethylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)propanamide (CID 86945665) is 3-[(3,4-dimethylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)propanamide.
What is the SMILES notation for 3-[(3,4-dimethylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)propanamide?
The canonical SMILES for 3-[(3,4-dimethylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)propanamide is Cc1ccc(S(=O)(=O)NCCC(=O)N(Cc2ccco2)C2CCN(C)CC2)cc1C.
What is the InChIKey of 3-[(3,4-dimethylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)propanamide?
The InChIKey is KOBBXLYXDYHDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O4S/c1-17-6-7-21(15-18(17)2)30(27,28)23-11-8-22(26)25(16-20-5-4-14-29-20)19-9-12-24(3)13-10-19/h4-7,14-15,19,23H,8-13,16H2,1-3H3.
What are the key properties of 3-[(3,4-dimethylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)propanamide?
3-[(3,4-dimethylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)propanamide has a molecular weight of 433.57 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)propanamide is sourced from PubChem (CID 86945665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).