N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide

C17H18N6O3S2 — CID 30702107

IUPACN-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESCN(CC(=O)Nc1ccc(-c2nnnn2C2CC2)cc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C17H18N6O3S2/c1-22(28(25,26)16-3-2-10-27-16)11-15(24)18-13-6-4-12(5-7-13)17-19-20-21-23(17)14-8-9-14/h2-7,10,14H,8-9,11H2,1H3,(H,18,24)
InChIKeyICLQJGTVXJBHGD-UHFFFAOYSA-N
MW418.50 g/mol
LogP2.00
Rot. Bonds7

About N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide

N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide (PubChem CID 30702107) has the molecular formula C17H18N6O3S2 and a molecular weight of 418.50 g/mol. Its IUPAC name is N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
PubChem CID30702107
Molecular FormulaC17H18N6O3S2
Molecular Weight418.50 g/mol
Exact Mass418.09
IUPAC NameN-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESCN(CC(=O)Nc1ccc(-c2nnnn2C2CC2)cc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C17H18N6O3S2/c1-22(28(25,26)16-3-2-10-27-16)11-15(24)18-13-6-4-12(5-7-13)17-19-20-21-23(17)14-8-9-14/h2-7,10,14H,8-9,11H2,1H3,(H,18,24)
InChIKeyICLQJGTVXJBHGD-UHFFFAOYSA-N
XLogP2.00
TPSA110.08 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide with MolForge

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Related Compounds

N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]propanamide
CID 60724572
N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-4-thiophen-2-ylbutanamide
CID 31404594
N-(4-tert-butylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 7685406
N-methyl-4-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]benzamide
CID 9429046
N-(4-bromo-3-methylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 4824237
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[4-(2-oxoimidazolidin-1-yl)phenyl]acetamide
CID 55489697
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]acetamide
CID 24651698
N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 55536860
ethyl 5-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]thiadiazole-4-carboxylate
CID 55643015
3-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 86856076
N-(2-methylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 4117119
N-(3-bromophenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 2479907

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The IUPAC name of N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide (CID 30702107) is N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide.
What is the SMILES notation for N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The canonical SMILES for N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide is CN(CC(=O)Nc1ccc(-c2nnnn2C2CC2)cc1)S(=O)(=O)c1cccs1.
What is the InChIKey of N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The InChIKey is ICLQJGTVXJBHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O3S2/c1-22(28(25,26)16-3-2-10-27-16)11-15(24)18-13-6-4-12(5-7-13)17-19-20-21-23(17)14-8-9-14/h2-7,10,14H,8-9,11H2,1H3,(H,18,24).
What are the key properties of N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide has a molecular weight of 418.50 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide is sourced from PubChem (CID 30702107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).