N-(4-methyl-1,3-thiazol-2-yl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide

C17H21N3O3S2 — CID 43036913

IUPACN-(4-methyl-1,3-thiazol-2-yl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
SMILESCc1csc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCCC3)n1
InChIInChI=1S/C17H21N3O3S2/c1-12-11-24-17(19-12)20-16(21)8-9-18-25(22,23)15-7-6-13-4-2-3-5-14(13)10-15/h6-7,10-11,18H,2-5,8-9H2,1H3,(H,19,20,21)
InChIKeyXFVDLGNKYRVUGK-UHFFFAOYSA-N
MW379.51 g/mol
LogP2.64
Rot. Bonds6

About N-(4-methyl-1,3-thiazol-2-yl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide

N-(4-methyl-1,3-thiazol-2-yl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide (PubChem CID 43036913) has the molecular formula C17H21N3O3S2 and a molecular weight of 379.51 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
PubChem CID43036913
Molecular FormulaC17H21N3O3S2
Molecular Weight379.51 g/mol
Exact Mass379.10
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
SMILESCc1csc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCCC3)n1
InChIInChI=1S/C17H21N3O3S2/c1-12-11-24-17(19-12)20-16(21)8-9-18-25(22,23)15-7-6-13-4-2-3-5-14(13)10-15/h6-7,10-11,18H,2-5,8-9H2,1H3,(H,19,20,21)
InChIKeyXFVDLGNKYRVUGK-UHFFFAOYSA-N
XLogP2.64
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
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N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)butanamide
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N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
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CID 78871932
N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 55975923
4-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoylamino]benzamide
CID 9441800
N-(4-acetyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-5-sulfonamide
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N-(3-methoxyphenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide (CID 43036913) is N-(4-methyl-1,3-thiazol-2-yl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide is Cc1csc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCCC3)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide?
The InChIKey is XFVDLGNKYRVUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S2/c1-12-11-24-17(19-12)20-16(21)8-9-18-25(22,23)15-7-6-13-4-2-3-5-14(13)10-15/h6-7,10-11,18H,2-5,8-9H2,1H3,(H,19,20,21).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide?
N-(4-methyl-1,3-thiazol-2-yl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide has a molecular weight of 379.51 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide is sourced from PubChem (CID 43036913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).