N-[3-[(E)-3-(dimethylamino)prop-2-enoyl]phenyl]-N-methylthiophene-2-sulfonamide

C16H18N2O3S2 — CID 67198905

IUPACN-[3-[(E)-3-(dimethylamino)prop-2-enoyl]phenyl]-N-methylthiophene-2-sulfonamide
SMILESCN(C)/C=C/C(=O)c1cccc(N(C)S(=O)(=O)c2cccs2)c1
InChIInChI=1S/C16H18N2O3S2/c1-17(2)10-9-15(19)13-6-4-7-14(12-13)18(3)23(20,21)16-8-5-11-22-16/h4-12H,1-3H3/b10-9+
InChIKeyMDDIZTOFUJKXPP-MDZDMXLPSA-N
MW350.47 g/mol
LogP2.83
Rot. Bonds6

About N-[3-[(E)-3-(dimethylamino)prop-2-enoyl]phenyl]-N-methylthiophene-2-sulfonamide

N-[3-[(E)-3-(dimethylamino)prop-2-enoyl]phenyl]-N-methylthiophene-2-sulfonamide (PubChem CID 67198905) has the molecular formula C16H18N2O3S2 and a molecular weight of 350.47 g/mol. Its IUPAC name is N-[3-[(E)-3-(dimethylamino)prop-2-enoyl]phenyl]-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-[(E)-3-(dimethylamino)prop-2-enoyl]phenyl]-N-methylthiophene-2-sulfonamide
PubChem CID67198905
Molecular FormulaC16H18N2O3S2
Molecular Weight350.47 g/mol
Exact Mass350.08
IUPAC NameN-[3-[(E)-3-(dimethylamino)prop-2-enoyl]phenyl]-N-methylthiophene-2-sulfonamide
SMILESCN(C)/C=C/C(=O)c1cccc(N(C)S(=O)(=O)c2cccs2)c1
InChIInChI=1S/C16H18N2O3S2/c1-17(2)10-9-15(19)13-6-4-7-14(12-13)18(3)23(20,21)16-8-5-11-22-16/h4-12H,1-3H3/b10-9+
InChIKeyMDDIZTOFUJKXPP-MDZDMXLPSA-N
XLogP2.83
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[methyl(thiophen-2-ylsulfonyl)amino]benzoate
CID 100551743
4-chloro-N-[3-[(E)-3-(dimethylamino)prop-2-enoyl]phenyl]-N-methylbenzenesulfonamide
CID 67198187
ethyl 3-[methyl(thiophen-2-ylsulfonyl)amino]benzoate
CID 100551805
N-[3-[3-(dimethylamino)prop-2-enoyl]phenyl]-N,2,4-trimethyl-1,3-thiazole-5-sulfonamide
CID 67198995
4-cyano-N-[3-[(E)-3-(dimethylamino)prop-2-enoyl]phenyl]-N-methylbenzenesulfonamide
CID 67197141
N-[3-[3-(dimethylamino)prop-2-enoyl]phenyl]-N-ethylethanesulfonamide
CID 67195903
(E)-3-(dimethylamino)-1-(3-methylphenyl)prop-2-en-1-one
CID 19807213
N-[3-[3-(dimethylamino)prop-2-enoyl]phenyl]-N-(trideuteriomethyl)acetamide
CID 91422730
N-[(3-methylphenyl)methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]benzamide
CID 53283060
N-butyl-N-[3-[3-(dimethylamino)prop-2-enoyl]phenyl]-4-methoxybenzenesulfonamide
CID 69152574
ethyl 4-[methyl(thiophen-2-ylsulfonyl)amino]benzoate
CID 2989771
N-[(4S,5S,7R)-8-[[(2R)-1-(benzylamino)-1-oxopropan-2-yl]amino]-5-hydroxy-2,7-dimethyl-8-oxooctan-4-yl]-3-[methyl(thiophen-2-ylsulfonyl)amino]benzamide
CID 11158007

Frequently Asked Questions

What is the IUPAC name of N-[3-[(E)-3-(dimethylamino)prop-2-enoyl]phenyl]-N-methylthiophene-2-sulfonamide?
The IUPAC name of N-[3-[(E)-3-(dimethylamino)prop-2-enoyl]phenyl]-N-methylthiophene-2-sulfonamide (CID 67198905) is N-[3-[(E)-3-(dimethylamino)prop-2-enoyl]phenyl]-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[3-[(E)-3-(dimethylamino)prop-2-enoyl]phenyl]-N-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[3-[(E)-3-(dimethylamino)prop-2-enoyl]phenyl]-N-methylthiophene-2-sulfonamide is CN(C)/C=C/C(=O)c1cccc(N(C)S(=O)(=O)c2cccs2)c1.
What is the InChIKey of N-[3-[(E)-3-(dimethylamino)prop-2-enoyl]phenyl]-N-methylthiophene-2-sulfonamide?
The InChIKey is MDDIZTOFUJKXPP-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H18N2O3S2/c1-17(2)10-9-15(19)13-6-4-7-14(12-13)18(3)23(20,21)16-8-5-11-22-16/h4-12H,1-3H3/b10-9+.
What are the key properties of N-[3-[(E)-3-(dimethylamino)prop-2-enoyl]phenyl]-N-methylthiophene-2-sulfonamide?
N-[3-[(E)-3-(dimethylamino)prop-2-enoyl]phenyl]-N-methylthiophene-2-sulfonamide has a molecular weight of 350.47 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(E)-3-(dimethylamino)prop-2-enoyl]phenyl]-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 67198905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).