N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-3-(naphthalen-2-ylsulfonylamino)propanamide

C23H23N3O3S3 — CID 42575279

IUPACN-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-3-(naphthalen-2-ylsulfonylamino)propanamide
SMILESCc1nc(-c2ccc(CCNC(=O)CCNS(=O)(=O)c3ccc4ccccc4c3)s2)cs1
InChIInChI=1S/C23H23N3O3S3/c1-16-26-21(15-30-16)22-9-7-19(31-22)10-12-24-23(27)11-13-25-32(28,29)20-8-6-17-4-2-3-5-18(17)14-20/h2-9,14-15,25H,10-13H2,1H3,(H,24,27)
InChIKeyOWDCQRFYRWXAAU-UHFFFAOYSA-N
MW485.66 g/mol
LogP4.36
Rot. Bonds9

About N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-3-(naphthalen-2-ylsulfonylamino)propanamide

N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-3-(naphthalen-2-ylsulfonylamino)propanamide (PubChem CID 42575279) has the molecular formula C23H23N3O3S3 and a molecular weight of 485.66 g/mol. Its IUPAC name is N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-3-(naphthalen-2-ylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-3-(naphthalen-2-ylsulfonylamino)propanamide
PubChem CID42575279
Molecular FormulaC23H23N3O3S3
Molecular Weight485.66 g/mol
Exact Mass485.09
IUPAC NameN-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-3-(naphthalen-2-ylsulfonylamino)propanamide
SMILESCc1nc(-c2ccc(CCNC(=O)CCNS(=O)(=O)c3ccc4ccccc4c3)s2)cs1
InChIInChI=1S/C23H23N3O3S3/c1-16-26-21(15-30-16)22-9-7-19(31-22)10-12-24-23(27)11-13-25-32(28,29)20-8-6-17-4-2-3-5-18(17)14-20/h2-9,14-15,25H,10-13H2,1H3,(H,24,27)
InChIKeyOWDCQRFYRWXAAU-UHFFFAOYSA-N
XLogP4.36
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.66
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]propanamide
CID 119275087
N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-3-thiophen-2-ylpropanamide
CID 24552699
N-[2-(2-methylphenyl)ethyl]-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 17486148
3-(2-fluorophenyl)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]propanamide
CID 31685116
2-methoxy-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]acetamide
CID 47014812
2-amino-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]acetamide;hydrochloride
CID 119275088
2-(methylamino)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]acetamide
CID 119696595
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]naphthalene-2-sulfonamide
CID 18554591
N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-(4-propanoylphenoxy)acetamide
CID 42575022
N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]naphthalene-1-carboxamide
CID 18284447
3-(2,5-dioxopyrrolidin-1-yl)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]propanamide
CID 18120397
N-methyl-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 47101384

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-3-(naphthalen-2-ylsulfonylamino)propanamide?
The IUPAC name of N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-3-(naphthalen-2-ylsulfonylamino)propanamide (CID 42575279) is N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-3-(naphthalen-2-ylsulfonylamino)propanamide.
What is the SMILES notation for N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-3-(naphthalen-2-ylsulfonylamino)propanamide?
The canonical SMILES for N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-3-(naphthalen-2-ylsulfonylamino)propanamide is Cc1nc(-c2ccc(CCNC(=O)CCNS(=O)(=O)c3ccc4ccccc4c3)s2)cs1.
What is the InChIKey of N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-3-(naphthalen-2-ylsulfonylamino)propanamide?
The InChIKey is OWDCQRFYRWXAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3S3/c1-16-26-21(15-30-16)22-9-7-19(31-22)10-12-24-23(27)11-13-25-32(28,29)20-8-6-17-4-2-3-5-18(17)14-20/h2-9,14-15,25H,10-13H2,1H3,(H,24,27).
What are the key properties of N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-3-(naphthalen-2-ylsulfonylamino)propanamide?
N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-3-(naphthalen-2-ylsulfonylamino)propanamide has a molecular weight of 485.66 g/mol, XLogP of 4.36, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-3-(naphthalen-2-ylsulfonylamino)propanamide is sourced from PubChem (CID 42575279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).