5-[methyl(thiophen-2-ylsulfonyl)amino]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide

C19H25N3O4S2 — CID 142673156

IUPAC5-[methyl(thiophen-2-ylsulfonyl)amino]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
SMILESCCCN(CCC)C(=O)c1cc(C(N)=O)cc(N(C)S(=O)(=O)c2cccs2)c1
InChIInChI=1S/C19H25N3O4S2/c1-4-8-22(9-5-2)19(24)15-11-14(18(20)23)12-16(13-15)21(3)28(25,26)17-7-6-10-27-17/h6-7,10-13H,4-5,8-9H2,1-3H3,(H2,20,23)
InChIKeyVZKMCUGYYVEWMH-UHFFFAOYSA-N
MW423.56 g/mol
LogP2.93
Rot. Bonds9

About 5-[methyl(thiophen-2-ylsulfonyl)amino]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide

5-[methyl(thiophen-2-ylsulfonyl)amino]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide (PubChem CID 142673156) has the molecular formula C19H25N3O4S2 and a molecular weight of 423.56 g/mol. Its IUPAC name is 5-[methyl(thiophen-2-ylsulfonyl)amino]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name5-[methyl(thiophen-2-ylsulfonyl)amino]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
PubChem CID142673156
Molecular FormulaC19H25N3O4S2
Molecular Weight423.56 g/mol
Exact Mass423.13
IUPAC Name5-[methyl(thiophen-2-ylsulfonyl)amino]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
SMILESCCCN(CCC)C(=O)c1cc(C(N)=O)cc(N(C)S(=O)(=O)c2cccs2)c1
InChIInChI=1S/C19H25N3O4S2/c1-4-8-22(9-5-2)19(24)15-11-14(18(20)23)12-16(13-15)21(3)28(25,26)17-7-6-10-27-17/h6-7,10-13H,4-5,8-9H2,1-3H3,(H2,20,23)
InChIKeyVZKMCUGYYVEWMH-UHFFFAOYSA-N
XLogP2.93
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[methyl(thiophen-2-ylsulfonyl)amino]benzoate
CID 100551805
ethyl 4-[methyl(thiophen-2-ylsulfonyl)amino]benzoate
CID 2989771
methyl 3-[methyl(thiophen-2-ylsulfonyl)amino]benzoate
CID 100551743
5-formyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 142195355
4-[methyl(thiophen-2-ylsulfonyl)amino]-N-prop-2-enylbenzamide
CID 2989459
2-[propyl-[3-(thiophen-2-ylsulfonylamino)benzoyl]amino]acetic acid
CID 119205119
4-[methyl(thiophen-2-ylsulfonyl)amino]-N-pentan-3-ylbenzamide
CID 53283010
N-(1-ethylpyrrol-3-yl)-N-methylthiophene-2-sulfonamide;propanoic acid
CID 158322724
N-[3-[(E)-3-(dimethylamino)prop-2-enoyl]phenyl]-N-methylthiophene-2-sulfonamide
CID 67198905
3-N,3-N-dipropyl-5-pyridin-3-ylbenzene-1,3-dicarboxamide
CID 21086057
[3-amino-1-[(3-methoxyphenyl)methylamino]-4-thiophen-2-ylbutan-2-yl] 3-carbamoyl-5-(dipropylcarbamoyl)benzoate
CID 69317754
N-[(3-methylphenyl)methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]benzamide
CID 53283060

Frequently Asked Questions

What is the IUPAC name of 5-[methyl(thiophen-2-ylsulfonyl)amino]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide?
The IUPAC name of 5-[methyl(thiophen-2-ylsulfonyl)amino]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide (CID 142673156) is 5-[methyl(thiophen-2-ylsulfonyl)amino]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 5-[methyl(thiophen-2-ylsulfonyl)amino]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide?
The canonical SMILES for 5-[methyl(thiophen-2-ylsulfonyl)amino]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide is CCCN(CCC)C(=O)c1cc(C(N)=O)cc(N(C)S(=O)(=O)c2cccs2)c1.
What is the InChIKey of 5-[methyl(thiophen-2-ylsulfonyl)amino]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide?
The InChIKey is VZKMCUGYYVEWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S2/c1-4-8-22(9-5-2)19(24)15-11-14(18(20)23)12-16(13-15)21(3)28(25,26)17-7-6-10-27-17/h6-7,10-13H,4-5,8-9H2,1-3H3,(H2,20,23).
What are the key properties of 5-[methyl(thiophen-2-ylsulfonyl)amino]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide?
5-[methyl(thiophen-2-ylsulfonyl)amino]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide has a molecular weight of 423.56 g/mol, XLogP of 2.93, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl(thiophen-2-ylsulfonyl)amino]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 142673156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).