N-[4-[(3-carbazol-9-yl-2-hydroxypropyl)-(4-methylphenyl)sulfonylamino]phenyl]acetamide

C30H29N3O4S — CID 2866682

IUPACN-[4-[(3-carbazol-9-yl-2-hydroxypropyl)-(4-methylphenyl)sulfonylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N(CC(O)Cn2c3ccccc3c3ccccc32)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C30H29N3O4S/c1-21-11-17-26(18-12-21)38(36,37)33(24-15-13-23(14-16-24)31-22(2)34)20-25(35)19-32-29-9-5-3-7-27(29)28-8-4-6-10-30(28)32/h3-18,25,35H,19-20H2,1-2H3,(H,31,34)
InChIKeyWOSYVGMRWPFEOT-UHFFFAOYSA-N
MW527.65 g/mol
LogP5.32
Rot. Bonds8

About N-[4-[(3-carbazol-9-yl-2-hydroxypropyl)-(4-methylphenyl)sulfonylamino]phenyl]acetamide

N-[4-[(3-carbazol-9-yl-2-hydroxypropyl)-(4-methylphenyl)sulfonylamino]phenyl]acetamide (PubChem CID 2866682) has the molecular formula C30H29N3O4S and a molecular weight of 527.65 g/mol. Its IUPAC name is N-[4-[(3-carbazol-9-yl-2-hydroxypropyl)-(4-methylphenyl)sulfonylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(3-carbazol-9-yl-2-hydroxypropyl)-(4-methylphenyl)sulfonylamino]phenyl]acetamide
PubChem CID2866682
Molecular FormulaC30H29N3O4S
Molecular Weight527.65 g/mol
Exact Mass527.19
IUPAC NameN-[4-[(3-carbazol-9-yl-2-hydroxypropyl)-(4-methylphenyl)sulfonylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N(CC(O)Cn2c3ccccc3c3ccccc32)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C30H29N3O4S/c1-21-11-17-26(18-12-21)38(36,37)33(24-15-13-23(14-16-24)31-22(2)34)20-25(35)19-32-29-9-5-3-7-27(29)28-8-4-6-10-30(28)32/h3-18,25,35H,19-20H2,1-2H3,(H,31,34)
InChIKeyWOSYVGMRWPFEOT-UHFFFAOYSA-N
XLogP5.32
TPSA91.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.65
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-carbazol-9-yl-2-hydroxypropyl)-(4-methylphenyl)sulfonylamino]phenyl]acetamide?
The IUPAC name of N-[4-[(3-carbazol-9-yl-2-hydroxypropyl)-(4-methylphenyl)sulfonylamino]phenyl]acetamide (CID 2866682) is N-[4-[(3-carbazol-9-yl-2-hydroxypropyl)-(4-methylphenyl)sulfonylamino]phenyl]acetamide.
What is the SMILES notation for N-[4-[(3-carbazol-9-yl-2-hydroxypropyl)-(4-methylphenyl)sulfonylamino]phenyl]acetamide?
The canonical SMILES for N-[4-[(3-carbazol-9-yl-2-hydroxypropyl)-(4-methylphenyl)sulfonylamino]phenyl]acetamide is CC(=O)Nc1ccc(N(CC(O)Cn2c3ccccc3c3ccccc32)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[4-[(3-carbazol-9-yl-2-hydroxypropyl)-(4-methylphenyl)sulfonylamino]phenyl]acetamide?
The InChIKey is WOSYVGMRWPFEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N3O4S/c1-21-11-17-26(18-12-21)38(36,37)33(24-15-13-23(14-16-24)31-22(2)34)20-25(35)19-32-29-9-5-3-7-27(29)28-8-4-6-10-30(28)32/h3-18,25,35H,19-20H2,1-2H3,(H,31,34).
What are the key properties of N-[4-[(3-carbazol-9-yl-2-hydroxypropyl)-(4-methylphenyl)sulfonylamino]phenyl]acetamide?
N-[4-[(3-carbazol-9-yl-2-hydroxypropyl)-(4-methylphenyl)sulfonylamino]phenyl]acetamide has a molecular weight of 527.65 g/mol, XLogP of 5.32, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-carbazol-9-yl-2-hydroxypropyl)-(4-methylphenyl)sulfonylamino]phenyl]acetamide is sourced from PubChem (CID 2866682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).