CID 175753184

C21H25KN5O4S — CID 175753184

IUPAC—
SMILESO=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1cncc(N2CCOCC2)n1.[K]
InChIInChI=1S/C21H25N5O4S.K/c27-21(24-20-16-5-1-3-14(16)11-15-4-2-6-17(15)20)25-31(28,29)19-13-22-12-18(23-19)26-7-9-30-10-8-26;/h11-13H,1-10H2,(H2,24,25,27);
InChIKeyGUMWPNITCQEKEX-UHFFFAOYSA-N
MW482.63 g/mol
LogP1.42
Rot. Bonds4

About CID 175753184

CID 175753184 (PubChem CID 175753184) has the molecular formula C21H25KN5O4S and a molecular weight of 482.63 g/mol.

Molecular Properties

Compound NameCID 175753184
PubChem CID175753184
Molecular FormulaC21H25KN5O4S
Molecular Weight482.63 g/mol
Exact Mass482.13
IUPAC Name—
SMILESO=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1cncc(N2CCOCC2)n1.[K]
InChIInChI=1S/C21H25N5O4S.K/c27-21(24-20-16-5-1-3-14(16)11-15-4-2-6-17(15)20)25-31(28,29)19-13-22-12-18(23-19)26-7-9-30-10-8-26;/h11-13H,1-10H2,(H2,24,25,27);
InChIKeyGUMWPNITCQEKEX-UHFFFAOYSA-N
XLogP1.42
TPSA113.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.63
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(6-methylpyrazin-2-yl)sulfonylurea
CID 137404473
1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-(6-morpholin-4-ylpyrazin-2-yl)sulfonylurea
CID 137404286
1-[4-(dimethylamino)-6-methylpyrimidin-2-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[6-(4-methylpiperazin-1-yl)pyrazin-2-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(2-methylpyrimidin-5-yl)sulfonylurea
CID 165110072
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-pyrimidin-5-ylsulfonylurea
CID 137404275
1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylsulfonyl)-3-(2-tricyclo[6.2.0.03,6]deca-1(8),2,6-trienyl)urea
CID 166572745
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(oxolan-3-yl)pyrazol-3-yl]sulfonylurea
CID 142588060
CID 175710616
CID 175710616
1-(5-aminopyrazin-2-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 155076531
1-(3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-ylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 135241185
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(2-methylpyrimidin-4-yl)sulfonylurea
CID 137403435
1-(2,5-dimethyltriazol-4-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 164724230
1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 135240787

Frequently Asked Questions

What is the IUPAC name of CID 175753184?
The IUPAC name of CID 175753184 (CID 175753184) is not available.
What is the SMILES notation for CID 175753184?
The canonical SMILES for CID 175753184 is O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1cncc(N2CCOCC2)n1.[K].
What is the InChIKey of CID 175753184?
The InChIKey is GUMWPNITCQEKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O4S.K/c27-21(24-20-16-5-1-3-14(16)11-15-4-2-6-17(15)20)25-31(28,29)19-13-22-12-18(23-19)26-7-9-30-10-8-26;/h11-13H,1-10H2,(H2,24,25,27);.
What are the key properties of CID 175753184?
CID 175753184 has a molecular weight of 482.63 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175753184 is sourced from PubChem (CID 175753184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).