N-[4-[3-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]-1,3-thiazol-2-yl]-2-(2-hydroxyethylamino)acetamide

C25H27N5O4S2 — CID 168950503

IUPACN-[4-[3-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]-1,3-thiazol-2-yl]-2-(2-hydroxyethylamino)acetamide
SMILESCN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4csc(NC(=O)CNCCO)n4)c3)cccc12
InChIInChI=1S/C25H27N5O4S2/c1-30(2)22-10-4-9-20-19(22)8-5-11-23(20)36(33,34)29-18-7-3-6-17(14-18)21-16-35-25(27-21)28-24(32)15-26-12-13-31/h3-11,14,16,26,29,31H,12-13,15H2,1-2H3,(H,27,28,32)
InChIKeyCIOFWQKZZDUTEL-UHFFFAOYSA-N
MW525.66 g/mol
LogP3.35
Rot. Bonds10

About N-[4-[3-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]-1,3-thiazol-2-yl]-2-(2-hydroxyethylamino)acetamide

N-[4-[3-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]-1,3-thiazol-2-yl]-2-(2-hydroxyethylamino)acetamide (PubChem CID 168950503) has the molecular formula C25H27N5O4S2 and a molecular weight of 525.66 g/mol. Its IUPAC name is N-[4-[3-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]-1,3-thiazol-2-yl]-2-(2-hydroxyethylamino)acetamide.

Molecular Properties

Compound NameN-[4-[3-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]-1,3-thiazol-2-yl]-2-(2-hydroxyethylamino)acetamide
PubChem CID168950503
Molecular FormulaC25H27N5O4S2
Molecular Weight525.66 g/mol
Exact Mass525.15
IUPAC NameN-[4-[3-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]-1,3-thiazol-2-yl]-2-(2-hydroxyethylamino)acetamide
SMILESCN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4csc(NC(=O)CNCCO)n4)c3)cccc12
InChIInChI=1S/C25H27N5O4S2/c1-30(2)22-10-4-9-20-19(22)8-5-11-23(20)36(33,34)29-18-7-3-6-17(14-18)21-16-35-25(27-21)28-24(32)15-26-12-13-31/h3-11,14,16,26,29,31H,12-13,15H2,1-2H3,(H,27,28,32)
InChIKeyCIOFWQKZZDUTEL-UHFFFAOYSA-N
XLogP3.35
TPSA123.66 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.66
LogP ≤ 53.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(dimethylamino)-N-[3-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]naphthalene-1-sulfonamide
CID 168950457
N-[4-[3-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-4-methoxyphenyl]-1,3-thiazol-2-yl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 155927129
2-(diethoxyphosphorylamino)-N-[4-[3-[[5-(dimethylamino)naphthalen-1-yl]sulfinylamino]phenyl]-1,3-thiazol-2-yl]acetamide
CID 170006216
5-[[4-[3-[[5-(dimethylamino)naphthalen-1-yl]sulfanylamino]phenyl]-1,3-thiazol-2-yl]amino]-5-oxopentanoic acid
CID 168950480
N-[4-[3-(thiophen-2-ylsulfonylamino)phenyl]-1,3-thiazol-2-yl]acetamide
CID 155557473
tert-butyl N-[4-[[4-[3-[[5-(dimethylamino)naphthalen-1-yl]sulfanylamino]phenyl]-1,3-thiazol-2-yl]amino]-4-oxobutyl]carbamate
CID 168950489
[3-(2-benzamido-1,3-thiazol-4-yl)phenyl]-[5-(dimethylamino)naphthalen-1-yl]sulfamic acid
CID 175291257
5-(dimethylamino)-N-[2-(2-hydroxyethylamino)ethyl]naphthalene-1-sulfonamide
CID 70948428
4-methyl-3-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]benzoic acid
CID 8823584
ethyl 3-[[4-[3-(dimethylamino)phenyl]-1,3-thiazol-2-yl]amino]-3-oxopropanoate
CID 164907004
6-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[4-[3-[(4-pentylphenyl)sulfonylamino]phenyl]-1,3-thiazol-2-yl]hexanamide
CID 168859169
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119676953

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]-1,3-thiazol-2-yl]-2-(2-hydroxyethylamino)acetamide?
The IUPAC name of N-[4-[3-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]-1,3-thiazol-2-yl]-2-(2-hydroxyethylamino)acetamide (CID 168950503) is N-[4-[3-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]-1,3-thiazol-2-yl]-2-(2-hydroxyethylamino)acetamide.
What is the SMILES notation for N-[4-[3-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]-1,3-thiazol-2-yl]-2-(2-hydroxyethylamino)acetamide?
The canonical SMILES for N-[4-[3-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]-1,3-thiazol-2-yl]-2-(2-hydroxyethylamino)acetamide is CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(-c4csc(NC(=O)CNCCO)n4)c3)cccc12.
What is the InChIKey of N-[4-[3-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]-1,3-thiazol-2-yl]-2-(2-hydroxyethylamino)acetamide?
The InChIKey is CIOFWQKZZDUTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O4S2/c1-30(2)22-10-4-9-20-19(22)8-5-11-23(20)36(33,34)29-18-7-3-6-17(14-18)21-16-35-25(27-21)28-24(32)15-26-12-13-31/h3-11,14,16,26,29,31H,12-13,15H2,1-2H3,(H,27,28,32).
What are the key properties of N-[4-[3-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]-1,3-thiazol-2-yl]-2-(2-hydroxyethylamino)acetamide?
N-[4-[3-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]-1,3-thiazol-2-yl]-2-(2-hydroxyethylamino)acetamide has a molecular weight of 525.66 g/mol, XLogP of 3.35, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]-1,3-thiazol-2-yl]-2-(2-hydroxyethylamino)acetamide is sourced from PubChem (CID 168950503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).