N-[3-[[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]amino]-3-oxopropyl]naphthalene-2-carboxamide

C24H22N4O4S2 — CID 46573515

IUPACN-[3-[[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]amino]-3-oxopropyl]naphthalene-2-carboxamide
SMILESCS(=O)(=O)Nc1ccc(-c2csc(NC(=O)CCNC(=O)c3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C24H22N4O4S2/c1-34(31,32)28-20-10-8-17(9-11-20)21-15-33-24(26-21)27-22(29)12-13-25-23(30)19-7-6-16-4-2-3-5-18(16)14-19/h2-11,14-15,28H,12-13H2,1H3,(H,25,30)(H,26,27,29)
InChIKeyLKXVSCDUANZXOB-UHFFFAOYSA-N
MW494.60 g/mol
LogP4.09
Rot. Bonds8

About N-[3-[[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]amino]-3-oxopropyl]naphthalene-2-carboxamide

N-[3-[[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]amino]-3-oxopropyl]naphthalene-2-carboxamide (PubChem CID 46573515) has the molecular formula C24H22N4O4S2 and a molecular weight of 494.60 g/mol. Its IUPAC name is N-[3-[[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]amino]-3-oxopropyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]amino]-3-oxopropyl]naphthalene-2-carboxamide
PubChem CID46573515
Molecular FormulaC24H22N4O4S2
Molecular Weight494.60 g/mol
Exact Mass494.11
IUPAC NameN-[3-[[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]amino]-3-oxopropyl]naphthalene-2-carboxamide
SMILESCS(=O)(=O)Nc1ccc(-c2csc(NC(=O)CCNC(=O)c3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C24H22N4O4S2/c1-34(31,32)28-20-10-8-17(9-11-20)21-15-33-24(26-21)27-22(29)12-13-25-23(30)19-7-6-16-4-2-3-5-18(16)14-19/h2-11,14-15,28H,12-13H2,1H3,(H,25,30)(H,26,27,29)
InChIKeyLKXVSCDUANZXOB-UHFFFAOYSA-N
XLogP4.09
TPSA117.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.60
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2-naphthalen-2-ylacetamide
CID 24568361
ethyl N-[3-[[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]amino]-3-oxopropyl]carbamate
CID 38430064
N-[3-[(4-acetyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]naphthalene-2-carboxamide
CID 55583002
N-[3-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide
CID 43000018
N-[3-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]naphthalene-2-carboxamide
CID 32869761
N-[3-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]naphthalene-2-carboxamide
CID 46589382
N-[3-[[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]naphthalene-2-carboxamide
CID 30840626
N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide
CID 46667755
N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide
CID 24568469
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)naphthalene-2-carboxamide
CID 7917223
N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide
CID 24568455
3-(methanesulfonamido)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 18127523

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]amino]-3-oxopropyl]naphthalene-2-carboxamide?
The IUPAC name of N-[3-[[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]amino]-3-oxopropyl]naphthalene-2-carboxamide (CID 46573515) is N-[3-[[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]amino]-3-oxopropyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[3-[[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]amino]-3-oxopropyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[3-[[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]amino]-3-oxopropyl]naphthalene-2-carboxamide is CS(=O)(=O)Nc1ccc(-c2csc(NC(=O)CCNC(=O)c3ccc4ccccc4c3)n2)cc1.
What is the InChIKey of N-[3-[[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]amino]-3-oxopropyl]naphthalene-2-carboxamide?
The InChIKey is LKXVSCDUANZXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4S2/c1-34(31,32)28-20-10-8-17(9-11-20)21-15-33-24(26-21)27-22(29)12-13-25-23(30)19-7-6-16-4-2-3-5-18(16)14-19/h2-11,14-15,28H,12-13H2,1H3,(H,25,30)(H,26,27,29).
What are the key properties of N-[3-[[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]amino]-3-oxopropyl]naphthalene-2-carboxamide?
N-[3-[[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]amino]-3-oxopropyl]naphthalene-2-carboxamide has a molecular weight of 494.60 g/mol, XLogP of 4.09, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]amino]-3-oxopropyl]naphthalene-2-carboxamide is sourced from PubChem (CID 46573515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).