N-[3-[[3-(methanesulfonamido)phenyl]methylamino]-3-oxopropyl]furan-3-carboxamide

C16H19N3O5S — CID 38441548

IUPACN-[3-[[3-(methanesulfonamido)phenyl]methylamino]-3-oxopropyl]furan-3-carboxamide
SMILESCS(=O)(=O)Nc1cccc(CNC(=O)CCNC(=O)c2ccoc2)c1
InChIInChI=1S/C16H19N3O5S/c1-25(22,23)19-14-4-2-3-12(9-14)10-18-15(20)5-7-17-16(21)13-6-8-24-11-13/h2-4,6,8-9,11,19H,5,7,10H2,1H3,(H,17,21)(H,18,20)
InChIKeyKKKXKYICEWUMMJ-UHFFFAOYSA-N
MW365.41 g/mol
LogP1.09
Rot. Bonds8

About N-[3-[[3-(methanesulfonamido)phenyl]methylamino]-3-oxopropyl]furan-3-carboxamide

N-[3-[[3-(methanesulfonamido)phenyl]methylamino]-3-oxopropyl]furan-3-carboxamide (PubChem CID 38441548) has the molecular formula C16H19N3O5S and a molecular weight of 365.41 g/mol. Its IUPAC name is N-[3-[[3-(methanesulfonamido)phenyl]methylamino]-3-oxopropyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[3-[[3-(methanesulfonamido)phenyl]methylamino]-3-oxopropyl]furan-3-carboxamide
PubChem CID38441548
Molecular FormulaC16H19N3O5S
Molecular Weight365.41 g/mol
Exact Mass365.10
IUPAC NameN-[3-[[3-(methanesulfonamido)phenyl]methylamino]-3-oxopropyl]furan-3-carboxamide
SMILESCS(=O)(=O)Nc1cccc(CNC(=O)CCNC(=O)c2ccoc2)c1
InChIInChI=1S/C16H19N3O5S/c1-25(22,23)19-14-4-2-3-12(9-14)10-18-15(20)5-7-17-16(21)13-6-8-24-11-13/h2-4,6,8-9,11,19H,5,7,10H2,1H3,(H,17,21)(H,18,20)
InChIKeyKKKXKYICEWUMMJ-UHFFFAOYSA-N
XLogP1.09
TPSA117.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 108921247
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1-[[3-(methanesulfonamido)phenyl]methyl]-3-(3-methylbutyl)urea
CID 41465627
3-[(furan-3-carbonylamino)methyl]benzoic acid
CID 60894235
N-[3-[3-(butylsulfamoyl)anilino]-3-oxopropyl]furan-3-carboxamide
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N-[3-(3-hydroxypropylamino)-3-oxopropyl]furan-3-carboxamide
CID 43427988
6-(dimethylamino)-N-[[3-(methanesulfonamido)phenyl]methyl]pyridine-3-carboxamide
CID 32536301
N-[2-[[3-(azepan-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]furan-3-carboxamide
CID 49086013
(2R)-2-amino-N-[[3-(methanesulfonamido)phenyl]methyl]propanamide
CID 119277174
N-[(3-fluorophenyl)methyl]-3-(methanesulfonamido)propanamide
CID 47031214
2-[[2-[3-(methanesulfonamido)phenyl]acetyl]amino]acetic acid
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4-tert-butyl-N-[3-[[3-(2-methylpropanoylamino)phenyl]methylamino]-3-oxopropyl]benzamide
CID 33024025

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-(methanesulfonamido)phenyl]methylamino]-3-oxopropyl]furan-3-carboxamide?
The IUPAC name of N-[3-[[3-(methanesulfonamido)phenyl]methylamino]-3-oxopropyl]furan-3-carboxamide (CID 38441548) is N-[3-[[3-(methanesulfonamido)phenyl]methylamino]-3-oxopropyl]furan-3-carboxamide.
What is the SMILES notation for N-[3-[[3-(methanesulfonamido)phenyl]methylamino]-3-oxopropyl]furan-3-carboxamide?
The canonical SMILES for N-[3-[[3-(methanesulfonamido)phenyl]methylamino]-3-oxopropyl]furan-3-carboxamide is CS(=O)(=O)Nc1cccc(CNC(=O)CCNC(=O)c2ccoc2)c1.
What is the InChIKey of N-[3-[[3-(methanesulfonamido)phenyl]methylamino]-3-oxopropyl]furan-3-carboxamide?
The InChIKey is KKKXKYICEWUMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5S/c1-25(22,23)19-14-4-2-3-12(9-14)10-18-15(20)5-7-17-16(21)13-6-8-24-11-13/h2-4,6,8-9,11,19H,5,7,10H2,1H3,(H,17,21)(H,18,20).
What are the key properties of N-[3-[[3-(methanesulfonamido)phenyl]methylamino]-3-oxopropyl]furan-3-carboxamide?
N-[3-[[3-(methanesulfonamido)phenyl]methylamino]-3-oxopropyl]furan-3-carboxamide has a molecular weight of 365.41 g/mol, XLogP of 1.09, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-(methanesulfonamido)phenyl]methylamino]-3-oxopropyl]furan-3-carboxamide is sourced from PubChem (CID 38441548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).