N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide

C17H22N4O4S2 — CID 26046308

IUPACN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
SMILESCc1cc(C)c(S(=O)(=O)NCCC(=O)Nc2nc(CC(N)=O)cs2)c(C)c1
InChIInChI=1S/C17H22N4O4S2/c1-10-6-11(2)16(12(3)7-10)27(24,25)19-5-4-15(23)21-17-20-13(9-26-17)8-14(18)22/h6-7,9,19H,4-5,8H2,1-3H3,(H2,18,22)(H,20,21,23)
InChIKeyAAGSRYRQHHHEFE-UHFFFAOYSA-N
MW410.52 g/mol
LogP1.40
Rot. Bonds8

About N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide

N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (PubChem CID 26046308) has the molecular formula C17H22N4O4S2 and a molecular weight of 410.52 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
PubChem CID26046308
Molecular FormulaC17H22N4O4S2
Molecular Weight410.52 g/mol
Exact Mass410.11
IUPAC NameN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
SMILESCc1cc(C)c(S(=O)(=O)NCCC(=O)Nc2nc(CC(N)=O)cs2)c(C)c1
InChIInChI=1S/C17H22N4O4S2/c1-10-6-11(2)16(12(3)7-10)27(24,25)19-5-4-15(23)21-17-20-13(9-26-17)8-14(18)22/h6-7,9,19H,4-5,8H2,1-3H3,(H2,18,22)(H,20,21,23)
InChIKeyAAGSRYRQHHHEFE-UHFFFAOYSA-N
XLogP1.40
TPSA131.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
The IUPAC name of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (CID 26046308) is N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide is Cc1cc(C)c(S(=O)(=O)NCCC(=O)Nc2nc(CC(N)=O)cs2)c(C)c1.
What is the InChIKey of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
The InChIKey is AAGSRYRQHHHEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4S2/c1-10-6-11(2)16(12(3)7-10)27(24,25)19-5-4-15(23)21-17-20-13(9-26-17)8-14(18)22/h6-7,9,19H,4-5,8H2,1-3H3,(H2,18,22)(H,20,21,23).
What are the key properties of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide has a molecular weight of 410.52 g/mol, XLogP of 1.40, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 26046308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).